HEXENYL ACETOACETATE, (3Z)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H16O3
Molecular Weight	184.2322
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of HEXENYL ACETOACETATE, (3Z)-

Structure Search

SMILES

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

InChI

InChIKey=JCPGKFSGEPVXMI-PLNGDYQASA-N

InChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-

HIDE SMILES / InChI

Molecular Formula	C10H16O3
Molecular Weight	184.2322
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 `Mon Mar 31 19:34:22 GMT 2025` Edited by `admin` on `Mon Mar 31 19:34:22 GMT 2025`
Record UNII	70D608M0TD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXENYL ACETOACETATE, (3Z)-

Common Name

English

FEMA NO. 4489

Preferred Name

English

3-HEXENYL ACETOACETATE, CIS-

Systematic Name

English

BUTANOIC ACID, 3-OXO-, (3Z)-3-HEXENYL ESTER

Common Name

English

BUTANOIC ACID, 3-OXO-, 3-HEXENYL ESTER, (Z)-

Common Name

English

CIS-3-HEXENYL ACETOACETATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

CIS-3-HEXENYL ACETOACETATE

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID001264453

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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PUBCHEM

20836219

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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JECFA MONOGRAPH

1952

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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FDA UNII

70D608M0TD

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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ECHA (EC/EINECS)

282-820-0

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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CAS

84434-20-8

Created by admin on Mon Mar 31 19:34:22 GMT 2025 , Edited by admin on Mon Mar 31 19:34:22 GMT 2025

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