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

基本信息

化学结构

分子式

C₁₀H₁₈O

分子量

154.24932

精确质量

154.1357652

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.3484197

LogD (pH = 7.4)

2.3484197

Log P

2.3484197

摩尔折射率

45.8609

极化性

18.385763

极化表面积

9.23

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

3.36

LOG S

-3.84

溶解度

2.25e-02 g/l

数据来源

名称和标识

别名

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传统名

eucalyptol

IUPAC标准名

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

名称和标识

数据登录号

Chemspider ID

美国药典/FDA物质标识码

CAS号

PubChem CID

KEGG ID

DrugBank ID

维基百科标题

CHEMBL

EC号

Beilstein号

默克索引号

MDL号

PubChem SID

数据登录号

化合物性质

产品相关信息

质检报告

下载链接

纯度

~99%

99%

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

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

描述信息

参考文献

PubChem文献

数据源提供

参考文献