3-HEXENYL BENZOATE, (3Z)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O2
Molecular Weight	204.2649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-HEXENYL BENZOATE, (3Z)-

Structure Search

SMILES

CC\C=C/CCOC(=O)C1=CC=CC=C1

InChI

InChIKey=BCOXBEHFBZOJJZ-ARJAWSKDSA-N

InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-

HIDE SMILES / InChI

Molecular Formula	C13H16O2
Molecular Weight	204.2649
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 19:00:25 GMT 2023` Edited by `admin` on `Fri Dec 15 19:00:25 GMT 2023`
Record UNII	P4871S0YA9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HEXENYL BENZOATE, (3Z)-

Systematic Name

English

BENZOIC ACID, 3-HEXENYL ESTER, (Z)-

Common Name

English

3-HEXENYL BENZOATE, CIS-

Systematic Name

English

3-HEXEN-1-OL, BENZOATE, (Z)-

Systematic Name

English

FEMA NO. 3688

Code

English

CIS-3-HEXENYL BENZOATE

Systematic Name

English

(3Z)-HEX-3-EN-1-YL BENZOATE

Systematic Name

English

3-HEXENYL BENZOATE, (Z)-

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

CIS-3-HEXENYL BENZOATE

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

Code System Code Type Description

ECHA (EC/EINECS)

246-669-4

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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JECFA MONOGRAPH

870

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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PUBCHEM

5367706

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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FDA UNII

P4871S0YA9

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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CAS

25152-85-6

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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EPA CompTox

DTXSID3047554

Created by admin on Fri Dec 15 19:00:25 GMT 2023 , Edited by admin on Fri Dec 15 19:00:25 GMT 2023

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