3-HEXENYL-2-BUTENOATE, (2E,3Z)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H16O2
Molecular Weight	168.2328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3-HEXENYL-2-BUTENOATE, (2E,3Z)-

Structure Search

SMILES

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

InChI

InChIKey=KITGYVIOYOCIIE-QNMAEOQASA-N

InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+

HIDE SMILES / InChI

Molecular Formula	C10H16O2
Molecular Weight	168.2328
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:24:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:24:12 GMT 2025`
Record UNII	4SW5S1T63S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(Z)-3-HEXENYL (E)-2-BUTENOATE

Preferred Name

English

3-HEXENYL-2-BUTENOATE, (2E,3Z)-

Common Name

English

(Z)-3-HEXENYL CROTONATE

Systematic Name

English

2-BUTENOIC ACID, (3Z)-3-HEXENYL ESTER, (2E)-

Common Name

English

2-BUTENOIC ACID, (3Z)-3-HEXEN-1-YL ESTER, (2E)-

Common Name

English

2-BUTENOIC ACID, 3-HEXENYL ESTER, (E,Z)-

Common Name

English

(Z)-3-HEXENYL (E)-2-BUTENOATE [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

(Z)-3-HEXENYL (E)-2-BUTENOATE

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID90886759

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

PRIMARY

ECHA (EC/EINECS)

265-746-3

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

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PUBCHEM

16220110

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

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JECFA MONOGRAPH

1285

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

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CAS

65405-80-3

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

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FDA UNII

4SW5S1T63S

Created by admin on Mon Mar 31 19:24:12 GMT 2025 , Edited by admin on Mon Mar 31 19:24:12 GMT 2025

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