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(S)-Verbenone

(S)-Verbenone structure

CAS No:
1196-01-6
Formula:
C10H14O
Chemical Name:
(S)-Verbenone
Synonyms:
Bicyclo[3.1.1]hept-3-en-2-one,4,6,6-trimethyl-,(1S,5S)-;2-Pinen-4-one,(1S,5S)-(-)-;Bicyclo[3.1.1]hept-3-en-2-one,4,6,6-trimethyl-,(1S)-;(1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one;(-)-Verbenone;(S)-(-)-Verbenone;(1S,5S)-(-)-Verbenone;(S)-Verbenone;(1S,5S)-Verbenone;(1S)-(-)-cis-Verbenone;(1S)-Verbenone;NSC 6831;(1S)-(-)-Verbenone;Levoverbenone;L(-)-Verbenone;1933770-61-6;2308489-04-3
Categories:
Biochemical Engineering > Chinese Herbs

Description

Clear light yellow to yellow liquidChEBI: A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration.

Colourless liquid; Minty spicy aroma

(S)-(-)-verbenone is a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration. It has a role as an expectorant. It is an enantiomer of a (R)-(+)-verbenone.

(S)-Verbenone Basic Attributes

Molecular Weight：

150.22

Exact Mass：

150.22

EC Number：

201-292-4

UNII：

2XP0J7754U

NSC Number：

6831

DSSTox ID：

DTXSID9035620

ATC Code：

R - Respiratory system

HScode：

29142900

Characteristics

PSA：

17.1

XLogP3：

1.97

Appearance：

Clear light yellow to yellow Liquid

Density：

0.980 g/cm³ @ Temp: 15 °C

Boiling Point：

227.5 °C

Flash Point：

185 °F

Refractive Index：

n 20/D 1.496(lit.)

Water Solubility：

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

Storage Conditions：

2-8°C

Vapor Pressure：

0.0773mmHg at 25°C

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

Not Classified| |Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 128 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

verbenone

(S)-Verbenone Use and Manufacturing

Manufacturing Info：

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

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:150.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:248
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (S)-Verbenone

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

(-)-VERBENONE

CAS No.: 1196-01-6

Content: 99.00%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

(1S)-(-)-Verbenone 99% see COA kanbei

CAS No.: 1196-01-6

Grade: Industrial Grade

Content: 99%

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Guide of (S)-Verbenone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(S)-Verbenone

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