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Details

Stereochemistry RACEMIC
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL 2-METHYLBUTYRATE, (3Z)-

SMILES

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

InChI

InChIKey=JKKGTSUICJWEKB-SREVYHEPSA-N
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-HEXENYL 2-METHYLBUTYRATE, (3Z)-
Systematic Name English
(Z)-3-HEXENYL 2-METHYLBUTYRATE
FCC  
Systematic Name English
(Z)-3-HEXENYL 2-METHYLBUTYRATE [FCC]
Common Name English
3-HEXENYL 2-METHYLBUTYRATE, CIS-
Systematic Name English
BUTANOIC ACID, 2-METHYL-, 3-HEXENYL ESTER, (Z)-
Common Name English
CIS-3-HEXENYL 2-METHYLBUTYRATE
FHFI  
Systematic Name English
FEMA NO. 3497
Code English
CIS-3-HEXENYL 2-METHYLBUTANOATE
Systematic Name English
CIS-3-HEXENYL 2-METHYLBUTYRATE [FHFI]
Common Name English
(±)-CIS-3-HEXENYL 2-METHYLBUTYRATE
Systematic Name English
(Z)-3-HEXENYL 2-METHYLBUTANOATE
Systematic Name English
(Z)-3-HEXEN-1-YL 2-METHYL BUTYRATE
Common Name English
BUTANOIC ACID, 2-METHYL-, (3Z)-3-HEXEN-1-YL ESTER
Common Name English
(Z)-3-HEXEN-1-OL 2-METHYLBUTANOATE
Systematic Name English
3-HEXENYL 2-METHYLBUTYRATE
Systematic Name English
BUTANOIC ACID, 2-METHYL-, (3Z)-3-HEXENYL ESTER
Common Name English
CIS-3-HEXENYL 2-METHYLBUTYRATE, (±)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5052177
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
CAS
10094-41-4
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
N181NM2UXZ
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-517-4
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
PUBCHEM
5365069
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
233-224-4
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
ALTERNATIVE
JECFA MONOGRAPH
33
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
CAS
53398-85-9
Created by admin on Fri Dec 15 20:20:54 GMT 2023 , Edited by admin on Fri Dec 15 20:20:54 GMT 2023
PRIMARY
NIH
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