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 ISOAMYL HEXANOATE

SMILES

CCCCCC(=O)OCCC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOAMYL HEXANOATE
FCC   FHFI  
Systematic Name English
ISOAMYL HEXANOATE [FHFI]
Common Name English
HEXANOIC ACID, 3-METHYLBUTYL ESTER
Common Name English
3-METHYLBUTYL HEXANOATE
Systematic Name English
FEMA NO. 2075
Code English
ISOPENTYL CAPROATE
Systematic Name English
HEXANOIC ACID, ISOPENTYL ESTER
Common Name English
ISOAMYL HEXANOATE [FCC]
Common Name English
ISOAMYL CAPROATE
Systematic Name English
ISOPENTYL HEXANOATE
Systematic Name English
ISOPENTYL ALCOHOL, HEXANOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ISOAMYL HEXANOATE
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
Code System Code Type Description
SMS_ID
100000164339
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
JECFA MONOGRAPH
295
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID7062245
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
EVMPD
SUB178770
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
CHEBI
87542
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-600-8
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
PUBCHEM
16617
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
CAS
2198-61-0
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY
FDA UNII
694171CHWH
Created by admin on Fri Dec 15 17:44:22 GMT 2023 , Edited by admin on Fri Dec 15 17:44:22 GMT 2023
PRIMARY