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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYL ISOBUTYRATE

SMILES

CCCCCCOC(=O)C(C)C

InChI

InChIKey=CYHBDKTZDLSRMY-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Anti-inflammatory and analgesic properties of Heracleum persicum essential oil and hydroalcoholic extract in animal models.
2009-07-30
Attacks by a piercing-sucking insect (Myzus persicae Sultzer) or a chewing insect (Leptinotarsa decemlineata Say) on potato plants (Solanum tuberosum L.) induce differential changes in volatile compound release and oxylipin synthesis.
2009
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:08:16 GMT 2025
Edited
by admin
on Mon Mar 31 19:08:16 GMT 2025
Record UNII
5FC79GHU69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3172
Preferred Name English
HEXYL ISOBUTYRATE
FHFI  
Systematic Name English
NSC-46108
Code English
ISOBUTYRIC ACID, HEXYL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, HEXYL ESTER
Common Name English
N-HEXYL ISOBUTYRATE
Common Name English
HEXYL ISOBUTYRATE [FHFI]
Common Name English
HEXYL ISOBUTANOATE
Systematic Name English
N-HEXYL ISOBUTANOATE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION HEXYL ISOBUTYRATE
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
Code System Code Type Description
CAS
2349-07-7
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
FDA UNII
5FC79GHU69
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
PUBCHEM
16872
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID2047519
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
JECFA MONOGRAPH
197
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
NSC
46108
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-075-8
Created by admin on Mon Mar 31 19:08:16 GMT 2025 , Edited by admin on Mon Mar 31 19:08:16 GMT 2025
PRIMARY