CAS 470-82-6|1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane|Eucalyptol|eucalyptol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-Cineole|1,8-epoxy-p-menthane|CINEOLE|4,7,7-trimethyl-8-oxabicyclo[2.2.2]oct...

General Information

Structure

Molecular Formula

C₁₀H₁₈O

Molecular Mass

154.24932

Exact Mass

154.1357652

Charge

InChI

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

InChIKey

WEEGYLXZBRQIMU-UHFFFAOYSA-N

Canonic Smiles

CC12CCC(CC1)C(O2)(C)C

Isomeric Smiles

O1C2(CCC(C1(C)C)CC2)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.3484197

LogD (pH = 7.4)

2.3484197

Log P

2.3484197

Molar Refractivity

45.8609

Polarizability

18.385763

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

3.36

LOG S

-3.84

Solubility (Water)

2.25e-02 g/l

Data Source

Names and Identifiers

Synonyms

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octaneCINEOLE1,8-Cineole1,8-epoxy-p-menthaneEucalyptol4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane1,8-cineol (eucalyptol)FEMA No. 2465CNLcineolEucalyptus oilZineolUNII-RV6J6604TKP-cineoleEucalyptol [usan]Terpanlimonene oxide1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (ACD/Name 4.0)EucapurEukalyptol [czech]1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octaneSoledumEucalyptol (natural)CineolumEucalyptolCucalyptolZedoary oil1,8-oxido-p-menthane{1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane}2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-BIDD:ER0481Eukalyptolp-Menthane, 1,8-epoxy-2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octanep-Menthane, 1,8-epoxy- (VAN)1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octanCasella-med brand of cineole2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-WLN: T66 A B AOTJ B1 B1 F1{2-Oxabicyclo[2.2.2]octane,} 1,3,3-trimethyl-cineole2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octaneEucalyptol (usan)1,8-cineolcajeputol{2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane}eucalyptole1,8-桉树脑1,8-Cineole

IUPAC Traditional name

eucalyptol

IUPAC name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Names and Identifiers

Registration numbers

Chemspider ID

2656

Unique Ingredient Identifier

CAS Number

PubChem CID

KEGG ID

DrugBank ID

Wikipedia Title

CHEMBL

EC Number

Beilstein Number

Merck Index

MDL Number

PubChem SID

Registration numbers

Properties

Product Information

Certificate of Analysis

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Purity

~99%

99%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB03852

Drug 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.

Toxicity

Oral, rat LD50: 2480 mg/kg

Affected Organisms

Humans and other mammals

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. 2010 Aug 16. [Pubmed]

External Links

• [Wikipedia]

MP Biomedicals

02150689

Purity: ~99%
1 ml = approx. 0.92 g

Wikipedia

Eucalyptol

Molecule Details

References

PubChem Literature

From Data Sources

References