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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 HEXENYL ISOBUTANOATE, (3Z)-

SMILES

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

InChI

InChIKey=OSMAJVWUIUORGC-WAYWQWQTSA-N
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-

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 18:07:23 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:23 GMT 2023
Record UNII
R84N0RD251
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXENYL ISOBUTANOATE, (3Z)-
Common Name English
PROPANOIC ACID, 2-METHYL-, (3Z)-3-HEXEN-1-YL ESTER
Common Name English
(Z)-3-HEXENYLISOBUTYRATE
Systematic Name English
(Z)-3-HEXEN-1-YL ISOBUTYRATE
Systematic Name English
(Z)-3-HEXENYL ISOBUTYRATE [FHFI]
Common Name English
FEMA NO. 3929
Code English
3-HEXENYL ISOBUTYRATE, CIS-
Systematic Name English
PROPANOIC ACID, 2-METHYL-, (3Z)-3-HEXENYL ESTER
Common Name English
CIS-3-HEXENYL ISO-BUTYRATE
Common Name English
CIS-3-HEXENYL ISOBUTYRATE
Systematic Name English
(3Z)-HEX-3-EN-1-YL 2-METHYLPROPANOATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3-HEXENYL ESTER, (Z)-
Common Name English
Classification Tree Code System Code
JECFA EVALUATION CIS-3-HEXENYL ISOBUTYRATE
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID0047585
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
FDA UNII
R84N0RD251
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
CAS
41519-23-7
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-424-0
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
1284
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
PUBCHEM
5352539
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY