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

Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLOCTANOIC ACID

SMILES

CCCCCCC(C)C(O)=O

InChI

InChIKey=YSEQNZOXHCKLOG-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-METHYLOCTANOIC ACID
Systematic Name English
.ALPHA.-METHYLCAPRYLIC ACID
Systematic Name English
(±)-2-METHYLOCTANOIC ACID
Systematic Name English
NSC-33927
Code English
OCTANOIC ACID, 2-METHYL-
Common Name English
Code System Code Type Description
CAS
3004-93-1
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID80863074
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY
PUBCHEM
94251
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY
FDA UNII
J9RJN5ZZ0S
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-104-4
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY
NSC
33927
Created by admin on Sat Dec 16 12:49:35 GMT 2023 , Edited by admin on Sat Dec 16 12:49:35 GMT 2023
PRIMARY