2-HEXENYL BUTYRATE, (2E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O2
Molecular Weight	170.2487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-HEXENYL BUTYRATE, (2E)-

Structure Search

SMILES

CCC\C=C\COC(=O)CCC

InChI

InChIKey=PCGACKLJNBBQGM-VOTSOKGWSA-N

InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+

HIDE SMILES / InChI

Molecular Formula	C10H18O2
Molecular Weight	170.2487
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 18:59:43 GMT 2023` Edited by `admin` on `Fri Dec 15 18:59:43 GMT 2023`
Record UNII	Z60BMY964J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HEXENYL BUTYRATE, (2E)-

Systematic Name

English

(E)-2-HEXENYL BUTYRATE [FHFI]

Common Name

English

BUTANOIC ACID, (2E)-2-HEXEN-1-YL ESTER

Common Name

English

(E)-HEX-2-ENYL BUTYRATE

Systematic Name

English

FEMA NO. 3926

Code

English

TRANS-2-HEXENYL BUTYRATE

Systematic Name

English

BUTANOIC ACID, (2E)-2-HEXENYL ESTER

Common Name

English

BUTANOIC ACID, 2-HEXENYL ESTER, (E)-

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

TRANS-2-HEXENYL BUTYRATE

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID90886052

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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PUBCHEM

5352461

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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CAS

53398-83-7

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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ECHA (EC/EINECS)

258-515-3

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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FDA UNII

Z60BMY964J

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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JECFA MONOGRAPH

1374

Created by admin on Fri Dec 15 18:59:44 GMT 2023 , Edited by admin on Fri Dec 15 18:59:44 GMT 2023

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