U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYL ISOVALERATE

SMILES

CCCCCCOC(=O)CC(C)C

InChI

InChIKey=RSDDTPVXLMVLQE-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:16:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:16:18 GMT 2023
Record UNII
5FJ2M7YCY6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXYL ISOVALERATE
FCC   FHFI  
Systematic Name English
FEMA NO. 3500
Code English
HEXYL ISOVALERATE [FCC]
Common Name English
HEXYL 3-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, HEXYL ESTER
Common Name English
ISOVALERIC ACID, HEXYL ESTER
Common Name English
N-HEXYL ISOPENTANOATE
Common Name English
HEXYL ISOVALERATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION HEXYL 3-METHYLBUTANOATE
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
Code System Code Type Description
PUBCHEM
61455
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY
CAS
10032-13-0
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY
JECFA MONOGRAPH
205
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY
FDA UNII
5FJ2M7YCY6
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
233-105-7
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID4064921
Created by admin on Fri Dec 15 18:16:18 GMT 2023 , Edited by admin on Fri Dec 15 18:16:18 GMT 2023
PRIMARY