Eucalyptol - DrugBank

ID Pharmacology Interactions References Trials Economics Properties Spectra Taxonomy

Identification

Name

Eucalyptol

Accession Number

DB03852 (EXPT00969)

Type

Small Molecule

Groups

Nutraceutical

Description

Eucalyptol is a natural organic compound which is a colorless liquid. It is a cyclic ether and a monoterpenoid. Eucalyptol is an ingredient in many brands of mouthwash and cough suppressant. It controls airway mucus hypersecretion and asthma via anti-inflammatory cytokine inhibition. Eucalyptol is an effective treatment for nonpurulent rhinosinusitis. Eucalyptol reduces inflammation and pain when applied topically. It kills leukaemia cells in vitro.

Structure

MOL SDF PDB SMILES InChI

Synonyms

1,8-cineol

1,8-Cineole

1,8-epoxy-p-menthane

1,8-oxido-p-menthane

cajeputol

cineol

cineole

Cucalyptol

Eucapur

Zineol

External IDs

Not Available

Product Ingredients

Not Available

Approved Prescription Products

Not Available

Approved Generic Prescription Products

Not Available

Approved Over the Counter Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End
Rosatra Synergy for Treatment Of Acne Rosacea	Oil	.7 g/50g	Topical	Phytopia Co., Ltd.	2016-02-29	Not applicable	US

Unapproved/Other Products

Not Available

International Brands

Name	Company
Soledum	Not Available

Brand mixtures

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Advanced Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Wakfern Food Corporation	2010-11-24	Not applicable	US
Advanced Antiseptic Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	H.E.B.	2010-10-15	Not applicable	US
Advanced Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walmart Stores	2010-07-22	Not applicable	US
Advanced Citrus Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Publix Supermarkets, Inc.	2001-05-03	Not applicable	US
Alsirub Ont	Eucalyptol Menthol Methyl salicylate	Ointment	Topical	Alsi Cie Ltee	1977-12-31	2003-05-21	Canada
Amber Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Filo America	2013-07-30	Not applicable	US
Amber Mouth Wash - Liq	Eucalyptol Menthol Thymol	Liquid	Dental	Perrigo International	1996-10-09	1999-08-06	Canada
Amber Mouthwash - Liq	Eucalyptol Menthol Thymol	Liquid	Dental	Perrigo International	1996-06-30	1999-08-06	Canada
Anitseptic Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Pharmacy Vlaue Alliance Llc	2003-08-19	Not applicable	US
Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Target Corporation.	1996-07-15	Not applicable	US
Antiseptic Blue Mint Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Fore Supply, Inc	2017-06-05	Not applicable	US
Antiseptic Lil Drug Store Products	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Lil' Drug Store Products, Inc.	2014-12-01	Not applicable	US
Antiseptic Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walgreens	2007-03-30	Not applicable	US
Antiseptic Mouth Rinse - Liq	Eucalyptol Menthol Thymol	Liquid	Dental	Perrigo International	1996-08-15	1999-08-06	Canada
Antiseptic Mouthrinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walmart Stores	1989-11-11	Not applicable	US
Antiseptic Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Meijer	2006-08-08	Not applicable	US
Antispetic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walgreen	2013-09-10	Not applicable	US
Antispetic Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Onpoint, Inc	2010-07-16	Not applicable	US
Aurora Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Buccal	APOLLO HEALTH AND BEAUTY CARE	2016-06-13	Not applicable	US
Aurora Fresh Burst	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Buccal	APOLLO HEALTH AND BEAUTY CARE	2016-06-13	Not applicable	US
Balminil Camphorub	Camphor Eucalyptol Menthol	Ointment	Topical	Rougier Pharma Division Of Ratiopharm Inc	1998-01-05	2003-09-22	Canada
Balminil Nasal Ointment	Camphor Chlorobutanol Ephedrine Eucalyptol Menthol	Ointment	Nasal	Rougier Pharma Division Of Ratiopharm Inc	1995-12-31	2003-09-22	Canada
Being Well Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Save A Lot Food Stores, Ltd.	2014-10-03	Not applicable	US
Biocence	Eucalyptol Thymol	Lotion	Topical	Bio Germ Protection Llc	2012-10-26	Not applicable	US
Borasol	Eucalyptol Menthol Methyl salicylate Thymol	Powder	Topical	Laboratorios Dr. Collado, C x A.	2013-01-01	Not applicable	US
Buenos Dias De Personna Citrus Flavour	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Buenos Dias De Personna Cool Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Buenos Dias De Personna Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Buenos Dias De Personna Original	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Cal Mo Dol Ont	Camphor Eucalyptol Menthol Methyl salicylate Peppermint oil Turpentine	Ointment	Topical	Herbes Universelles Inc.	1980-12-31	2009-07-15	Canada
Calmomusc Liq	Eucalyptol Menthol Menthyl salicylate	Liquid	Topical	Cardinaux Enrg Les Produits Naturels	1989-12-31	2000-07-07	Canada
Camocare Pain Relieving Cream	Camphor Eucalyptol Menthol	Cream	Topical	Abkit Inc.	1995-12-31	2002-08-22	Canada
Camphorated Ointment Compound	Camphor Eucalyptol Menthol	Ointment	Topical	Rougier Pharma Division Of Ratiopharm Inc	1982-12-31	2003-09-22	Canada
Carboseptol	Eucalyptol Menthol Methyl salicylate Thymol Zinc oxide	Ointment	Topical	Herbes Universelles Inc.	1966-12-31	2009-07-15	Canada
Cool Mint Antiseptic Mouthwash	Eucalyptol Menthol Thymol	Mouthwash	Buccal; Oral	Scott Chemical Canada	1996-12-31	1998-09-09	Canada
Creo Grippe Enfants Sup	Camphor Eucalyptol Guaifenesin	Suppository	Rectal	Produits Marc O (1987) Inc., Division Of Technilab Inc.	1984-12-31	1999-09-17	Canada
Creo Grippe Sup Adultes	Camphor Eucalyptol Guaifenesin	Suppository	Rectal	Produits Marc O (1987) Inc., Division Of Technilab Inc.	1992-12-30	1999-09-17	Canada
Demo Cineol Inj	Camphor Eucalyptol Guaiacol	Liquid	Intramuscular	Sabex Inc	1951-12-31	1998-08-12	Canada
Demo-cineol Adultes/adults	Camphor Eucalyptol Guaiacol Guaiacol	Suppository	Rectal	Sandoz Canada Incorporated	1986-12-31	Not applicable	Canada
Demo-cineol Enfants/children	Camphor Eucalyptol Guaiacol Guaiacol	Suppository	Rectal	Sandoz Canada Incorporated	1977-12-31	Not applicable	Canada
Discount Drug Mart Blue Mint Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Discount Dollar Mart	2014-05-06	Not applicable	US
Discount Drug Mart Original Flavor Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Discount Drug Mart	2014-05-06	Not applicable	US
Discount Drug Mart Spring Mint Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Discount Drug Mart	2014-05-06	Not applicable	US
Equate Tartar Control Plus	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Walmart Stores	2017-01-05	Not applicable	US
Family Dollar Antiseptic Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Family Dollar	2011-05-16	Not applicable	US
Family Dollar Antiseptic Mouth Rinse Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Family Dollar Services	2011-05-16	Not applicable	US
Family Dollar Antiseptic Mouth Rinse Spring Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Family Dollar	2011-05-16	Not applicable	US
Green Mint Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Filo America	2013-07-30	Not applicable	US
Handy Solutions Cool Mint Listerine Antiseptic Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Navajo Manuracturing Company	2013-08-21	Not applicable	US
Handy Solutions Listerine Antiseptic Mouthwash	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Navajo Manuracturing Company	2013-08-21	Not applicable	US
Hyvee Antiseptic Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Hyvee	2015-04-08	Not applicable	US
Hyvee Antiseptic Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Hyvee	2014-03-21	Not applicable	US
Hyvee Antiseptic Original	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Hyvee	2013-09-12	Not applicable	US
Hyvee Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Hyvee	2014-03-19	Not applicable	US
Hyvee Health Cool Blue Sugar Free	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Hyvee	2016-03-08	Not applicable	US
Hyvee Health Green Mint Sugar Free	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Hyvee	2016-03-08	Not applicable	US
Inarub Crm	Eucalyptol Menthol Methyl salicylate	Cream	Topical	Frega Inc.	1979-12-31	2008-02-13	Canada
Infraline Liq	Eucalyptol Menthol Methyl salicylate	Liquid	Topical	Rolmex International Inc.	1963-12-31	1997-08-08	Canada
Jack and Jill Rub	Camphor Eucalyptol Menthol Turpentine	Ointment	Topical	W.K. Buckley Ltd.	1954-12-31	1999-07-19	Canada
Keloid Healer Synergy for Treatment Of Keloids	Balsam of Peru Eucalyptol	Oil	Topical	Phytopia Co., Ltd.	2016-04-01	Not applicable	US
Kiro-rub	Eucalyptol Menthol Methyl salicylate	Ointment	Topical	Centre De Recherches En Medication Naturelle Inc.	1999-07-05	2001-07-01	Canada
Larynsol Loz	Benzoic Acid Chlorobutanol Eucalyptol	Lozenge	Oral	Herbes Universelles Inc.	1979-12-31	2009-07-15	Canada
Listerine Advanced With Tartar Protection Antiseptic Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2013-10-11	2016-10-13	US
Listerine Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2012-02-21	Not applicable	US
Listerine Cool Mint Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson	2012-02-21	Not applicable	US
Listerine Freshburst Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson	2012-02-21	Not applicable	US
Listerine Naturals Antiseptic - Herbal Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2013-12-15	Not applicable	US
Listerine Ultraclean Antiseptic Arctic Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2012-07-03	Not applicable	US
Listerine Ultraclean Antiseptic Cool Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2012-07-09	Not applicable	US
Listerine Ultraclean Antiseptic Fresh Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2012-07-10	Not applicable	US
Marco Rub Camphorated Ont	Camphor Eucalyptol Menthol	Ointment	Topical	Produits Marc O (1987) Inc., Division Of Technilab Inc.	1993-01-19	1999-09-17	Canada
Marcs Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	APOLLO HEALTH AND BEAUTY CARE	2014-02-13	Not applicable	US
Marcs Original	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	APOLLO HEALTH AND BEAUTY CARE	2014-02-13	Not applicable	US
Marcs Spring Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	APOLLO HEALTH AND BEAUTY CARE	2014-02-13	Not applicable	US
Mastic Dent	Eucalyptol Menthol Sodium fluoride Thymol	Mouthwash	Dental; Oral	Chia Gi Ltd	2005-11-22	Not applicable	US
Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Kroger	1989-11-11	Not applicable	US
Onguent Camphre Menthol Alsi	Camphor Eucalyptol Menthol	Ointment	Topical	Alsi Cie Ltee	1980-12-31	1998-07-03	Canada
Oral Care Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Rite Aid	1990-10-15	Not applicable	US
Oral Dent Amber	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Oral Dent Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Oral Dent Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Oral Dent Fresh Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Oral-dent Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	International Cosmetic Limited	2013-01-10	Not applicable	US
Original Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Publix	1991-06-11	Not applicable	US
Pastilles Valda	Eucalyptol Guaiacol Menthol Terpin hydrate Thymol	Lozenge	Oral	Labs Valda	1981-12-31	1997-08-01	Canada
Peppermint Mouth Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Filo America	2013-07-30	Not applicable	US
Phytorub Ont	Eucalyptol Menthol Methyl salicylate	Ointment	Topical	Phyto Health Corporation	1978-12-31	2004-08-30	Canada
Pommade Au The Des Bois	Camphor Eucalyptol Menthol Methyl salicylate	Emulsion	Topical	Lab Valmo EnregistrÉ, Division Of Technilab Inc.	1986-12-31	1999-09-17	Canada
Quality Choice Amber	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Chain Drug Marketing Association	2015-09-13	Not applicable	US
Quality Choice Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Chain Drug Marketing Association	2015-09-13	Not applicable	US
Quality Choice Sprng Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Chain Drug Marketing Association	2015-09-13	Not applicable	US
Rhino-vaccin	Camphor Chlorobutanol Ephedrine Eucalyptol Menthol	Ointment	Nasal	Rougier Pharma Division Of Ratiopharm Inc	1951-12-31	2009-08-04	Canada
Rinse	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walgreen	1990-05-15	Not applicable	US
Royal Mouthwash Fresh and Clean Original Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Filo America	2013-09-17	Not applicable	US
Shaping With Workout - Loose Skin Revitalizer	Eucalyptol Menthol	Oil	Topical	Phytopia Co., Ltd.	2016-04-01	Not applicable	US
Shaping Without Workout	Eucalyptol Sage oil	Oil	Topical	Phytopia Co., Ltd.	2016-04-01	Not applicable	US
Slim Booster With Natural Slimming Activators	Eucalyptol Sage oil	Oil	Topical	Phytopia Co., Ltd.	2016-04-01	Not applicable	US
Smart Sense Blue Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Kmart Corporation	2013-05-13	Not applicable	US
Smart Sense Citrus	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Kmart Corporation	2013-05-09	Not applicable	US
Smart Sense Iceberg Blue	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Kmart Corporation	2013-04-22	Not applicable	US
Smart Sense Original Flavor	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Kmart Corporation	2013-05-13	Not applicable	US
Smart Sense Spring Mint	Eucalyptol Menthol Methyl salicylate Thymol	Liquid	Oral	Kmart Corporation	2013-05-13	Not applicable	US
Soft Mint Listerine Antiseptic	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Dental	Johnson & Johnson Healthcare Products, Division Of Mc Neil Ppc, Inc.	2010-02-05	Not applicable	US
Tartar Control	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Western Family	2010-09-23	Not applicable	US
Tartar Control Plus	Eucalyptol Menthol Methyl salicylate Thymol	Mouthwash	Oral	Walgreen	2013-10-10	Not applicable	US
Thermo Rub Ont	Eucalyptol Menthol Methyl salicylate	Ointment	Topical	Rolmex International Inc.	1973-12-31	2008-07-09	Canada
Valda Pastilles	Eucalyptol Guaiacol Menthol Terpin hydrate Thymol	Lozenge	Oral	Bayer Inc Consumer Care	1995-12-31	2007-08-02	Canada
Valda Pastilles Lemon Flavoured	Eucalyptol Guaiacol Menthol Terpin hydrate Thymol	Lozenge	Oral	Labs Valda	1992-12-31	1996-09-10	Canada
Vaporisateur Medicamente	Camphor Eucalyptol Menthol Thymol	Liquid	Respiratory (inhalation)	Alsi Cie Ltee	1979-12-31	2003-05-21	Canada

Categories

UNII

RV6J6604TK

CAS number

470-82-6

Weight

Average: 154.2493
Monoisotopic: 154.135765198

Chemical Formula

C₁₀H₁₈O

InChI Key

WEEGYLXZBRQIMU-WAAGHKOSSA-N

InChI

InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+

IUPAC Name

(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

SMILES

C[C@@]12CC[C@@H](CC1)C(C)(C)O2

Pharmacology

Indication

Not Available

Structured Indications

Not Available

Pharmacodynamics

Not Available

Mechanism of action

Not Available

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half life

Not Available

Clearance

Not Available

Toxicity

Oral, rat LD50: 2480 mg/kg

Affected organisms

Humans and other mammals

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

References

Synthesis Reference

Not Available

General References

Bastos VP, Gomes AS, Lima FJ, Brito TS, Soares PM, Pinho JP, Silva CS, Santos AA, Souza MH, Magalhaes PJ: Inhaled 1,8-cineole reduces inflammatory parameters in airways of ovalbumin-challenged Guinea pigs. Basic Clin Pharmacol Toxicol. 2011 Jan;108(1):34-9. doi: 10.1111/j.1742-7843.2010.00622.x. Epub 2010 Aug 16. [PubMed:20722639 ]

External Links

Resource	Link
KEGG Drug	D04115
KEGG Compound	C09844
PubChem Compound	2758
PubChem Substance	46506161
ChemSpider	21111689
ChEBI	27961
ChEMBL	CHEMBL1231862
PharmGKB	PA449555
IUPHAR	2464
Guide to Pharmacology	2464
HET	CNL
Drug Product Database	9122
Wikipedia	Eucalyptol

ATC Codes

R05CA13 — Cineole

AHFS Codes

Not Available

PDB Entries

1T2B

FDA label

Not Available

MSDS

Download (74.3 KB)

Clinical Trials

Phase	Status	Purpose	Conditions	Count
3	Unknown Status	Treatment	Coughing	1
4	Completed	Prevention	Neonatal Infections	1
4	Completed	Treatment	Aggressive Periodontitis	1
Not Available	Recruiting	Treatment	Periodontitis / Type 2 Diabetes Mellitus	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage forms

Form	Route	Strength
Liquid	Dental
Rinse	Oral
Mouthwash	Oral
Mouthwash	Buccal
Ointment	Nasal
Lotion	Topical
Spray	Topical
Powder	Topical
Liquid	Topical
Cream	Topical
Mouthwash	Buccal; Oral
Suppository	Rectal
Liquid	Intramuscular
Liquid	Oral
Lozenge	Oral
Ointment	Topical
Mouthwash	Dental; Oral
Emulsion	Topical
Oil	Topical	.7 g/50g
Oil	Topical
Mouthwash	Dental
Liquid	Respiratory (inhalation)

Prices

Not Available

Patents

Not Available

Properties

State

Liquid

Experimental Properties

Property	Value	Source
melting point (°C)	1.5 °C	PhysProp
boiling point (°C)	176.4 °C	PhysProp
water solubility	3500 mg/L (at 21 °C)	YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP	2.74	GRIFFIN,S ET AL. (1999)

Predicted Properties

Property	Value	Source
Water Solubility	0.0225 mg/mL	ALOGPS
logP	3.36	ALOGPS
logP	2.35	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	9.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	45.86 m³·mol^-1	ChemAxon
Polarizability	18.54 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted ADMET features

Property	Value	Probability
Human Intestinal Absorption	+	0.988
Blood Brain Barrier	+	0.9842
Caco-2 permeable	+	0.7609
P-glycoprotein substrate	Substrate	0.5435
P-glycoprotein inhibitor I	Non-inhibitor	0.6374
P-glycoprotein inhibitor II	Non-inhibitor	0.6455
Renal organic cation transporter	Non-inhibitor	0.7847
CYP450 2C9 substrate	Non-substrate	0.8132
CYP450 2D6 substrate	Non-substrate	0.7839
CYP450 3A4 substrate	Substrate	0.5962
CYP450 1A2 substrate	Non-inhibitor	0.7719
CYP450 2C9 inhibitor	Non-inhibitor	0.7571
CYP450 2D6 inhibitor	Non-inhibitor	0.95
CYP450 2C19 inhibitor	Non-inhibitor	0.658
CYP450 3A4 inhibitor	Non-inhibitor	0.9395
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9399
Ames test	Non AMES toxic	0.9574
Carcinogenicity	Non-carcinogens	0.7856
Biodegradation	Not ready biodegradable	0.8549
Rat acute toxicity	1.8144 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.8743
hERG inhibition (predictor II)	Non-inhibitor	0.7089

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available
MS	Mass Spectrum (Electron Ionization)	splash10-0536-9200000000-aa52695ff4a2c1313e0b	View in MoNA
1D NMR	1H NMR Spectrum	Not Available
1D NMR	13C NMR Spectrum	Not Available

Taxonomy

Description

This compound belongs to the class of chemical entities known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.

Kingdom

Chemical entities

Super Class

Organic compounds

Class

Organoheterocyclic compounds

Sub Class

Oxanes

Direct Parent

Oxanes

Alternative Parents

Oxacyclic compounds / Dialkyl ethers / Hydrocarbon derivatives

Substituents

Oxane / Oxacycle / Ether / Dialkyl ether / Organic oxygen compound / Hydrocarbon derivative / Organooxygen compound / Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

cineole (CHEBI:27961 )

Drug created on June 13, 2005 07:24 / Updated on August 02, 2017 16:55

Structure for DB03852 (Eucalyptol)