HCID92874

Levoverbenone

(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

C10H14O150.22 g/molCAS 1196-01-6

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IDENTITY

结构与身份

标准SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
InChIKey: DCSCXTJOXBUFGB-JGVFFNPUSA-N
分子式: C10H14O
平均分子量: 150.22 g/mol
单同位素质量: 150.10446507

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 248

PROPERTIES

实验与物化性质

来源：PubChem

Density

0.975-0.981

Solubility

Practically insoluble to insoluble in water; soluble in non-polar solvents

Soluble (in ethanol)

Boiling Point

89-90 °C (12 mm Hg)

Refractive Index

1.490-1.500

Physical Description

Colourless liquid; Minty spicy aroma

GHS

GHS分类

来源：PubChem

GHS Classification

This chemical does not meet GHS hazard criteria for 69.8% (90 of 129) of all reports.

Warning

H302 (30.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (29.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 129 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 90 of 129 reports by companies.；There are 2 notifications provided by 39 of 129 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hazard Classes and Categories

Acute Tox. 4 (13.5%)；Skin Irrit. 2 (12.5%)；Skin Sens. 1 (12.5%)；Eye Irrit. 2 (12.5%)；Acute Tox. 4 (12.5%)

Acute Tox. 4 (30.2%)；Skin Sens. 1 (29.5%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PHARMACOLOGY

药理信息

来源：PubChem

ATC Code

R - Respiratory system；R05 - Cough and cold preparations；R05C - Expectorants, excl. combinations with cough suppressants；R05CA - Expectorants；R05CA11 - Levoverbenone

QR - Respiratory system；QR05 - Cough and cold preparations；QR05C - Expectorants, excl. combinations with cough suppressants；QR05CA - Expectorants；QR05CA11 - Levoverbenone

USES

用途与制造

来源：PubChem

Use Classification

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-: ACTIVE

ALIASES

名称与别名

共 74 条

(-)-Verbenone1196-01-6Levoverbenone(1S)-(-)-Verbenonel-VerbenonePin-2-en-4-one(S)-verbenoneLaevo-verbenoneBicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-Verbenone, (-)-Verbenone, (1s)-DTXSID9035620NSC-6831(1S)-(-)-cis-VerbenoneL(-)-VerbenoneUNII-2XP0J7754U(S)-(-)-Verbenone2XP0J7754UEINECS 214-807-2AI3-23128

REACTIONS

参与反应

1 条

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649658B1

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