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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEPTANOIC ACID

SMILES

CCCCCC(C)C(O)=O

InChI

InChIKey=NKBWMBRPILTCRD-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
2004 Jun 11
Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.
2004 Jun 11
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:51:30 GMT 2023
Edited
by admin
on Fri Dec 15 16:51:30 GMT 2023
Record UNII
42C9131FOZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEPTANOIC ACID
FHFI  
Systematic Name English
(±)-2-METHYLHEPTANOIC ACID
Systematic Name English
2-METHYLHEPTANOIC ACID [FHFI]
Common Name English
HEPTANOIC ACID, 2-METHYL-
Common Name English
FEMA NO. 2706
Code English
.ALPHA.-METHYLHEPTANOIC ACID
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
JECFA EVALUATION 2-METHYLHEPTANOIC ACID
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
Code System Code Type Description
CAS
1188-02-9
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-704-2
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY
PUBCHEM
14475
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY
FDA UNII
42C9131FOZ
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY
JECFA MONOGRAPH
1221
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID20862581
Created by admin on Fri Dec 15 16:51:30 GMT 2023 , Edited by admin on Fri Dec 15 16:51:30 GMT 2023
PRIMARY