SORBYL ACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H12O2
Molecular Weight	140.1797
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of SORBYL ACETATE

Structure Search

SMILES

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

InChI

InChIKey=PXVKYPFROMBALG-VNKDHWASSA-N

InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+

HIDE SMILES / InChI

Molecular Formula	C8H12O2
Molecular Weight	140.1797
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 `Fri Dec 15 18:12:01 GMT 2023` Edited by `admin` on `Fri Dec 15 18:12:01 GMT 2023`
Record UNII	5416SJ1T8T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SORBYL ACETATE

Systematic Name

English

(E,E)-2,4-HEXADIENYL ACETATE

Systematic Name

English

2,4-HEXADIENYL ACETATE [FHFI]

Common Name

English

2,4-HEXADIEN-1-OL, ACETATE

Systematic Name

English

ACETIC ACID, 2,4-HEXADIENYL ESTER

Common Name

English

2,4-HEXADIEN-1-OL, 1-ACETATE

Common Name

English

HEXA-2,4-DIENYL ACETATE

Systematic Name

English

FEMA NO. 4132

Code

English

Classification Tree Code System Code

JECFA EVALUATION

2,4-HEXADIENYL ACETATE

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

Code System Code Type Description

CAS

57006-69-6

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

PRIMARY

PUBCHEM

5363491

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

PRIMARY

ECHA (EC/EINECS)

216-163-8

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

PRIMARY

JECFA MONOGRAPH

1757

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

PRIMARY

CAS

1516-17-2

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

5416SJ1T8T

Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023

PRIMARY