CINNAMYL ISOVALERATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O2
Molecular Weight	218.2915
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CINNAMYL ISOVALERATE

Structure Search

SMILES

CC(C)CC(=O)OC\C=C\C1=CC=CC=C1

InChI

InChIKey=FOCMOGKCPPTERB-RMKNXTFCSA-N

InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+

HIDE SMILES / InChI

Molecular Formula	C14H18O2
Molecular Weight	218.2915
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:20 GMT 2023` Edited by `admin` on `Fri Dec 15 17:10:20 GMT 2023`
Record UNII	5JHK9Y2XRM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CINNAMYL ISOVALERATE

Systematic Name

English

CINNAMYL ISOVALERATE [FCC]

Common Name

English

NSC-46141

Code

English

CINNAMYL ISOVALERATE [FHFI]

Common Name

English

ISOVALERIC ACID, CINNAMYL ESTER

Common Name

English

BUTANOIC ACID, 3-METHYL-, 3-PHENYL-2-PROPENYL ESTER

Common Name

English

BUTANOIC ACID, 3-METHYL-, 3-PHENYL-2-PROPEN-1-YL ESTER

Common Name

English

FEMA NO. 2302

Code

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

JECFA EVALUATION

CINNAMYL ISOVALERATE

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

Code System Code Type Description

CAS

140-27-2

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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SMS_ID

100000164318

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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FDA UNII

5JHK9Y2XRM

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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NSC

46141

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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EPA CompTox

DTXSID7059694

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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PUBCHEM

5355855

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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JECFA MONOGRAPH

185

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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MESH

C526337

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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ECHA (EC/EINECS)

205-407-9

Created by admin on Fri Dec 15 17:10:20 GMT 2023 , Edited by admin on Fri Dec 15 17:10:20 GMT 2023

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