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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPROIC ACID

SMILES

CCCCCC(O)=O

InChI

InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C6H12O2
Molecular Weight 116.1583
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 15:50:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:50:16 UTC 2023
Record UNII
1F8SN134MX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPROIC ACID
HSDB   INCI  
INCI  
Official Name English
CAPROIC ACID [HSDB]
Common Name English
HEXANOIC ACID [FCC]
Common Name English
HEXANOIC ACID [FHFI]
Common Name English
CAPROIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Common Name English
CAPROIC ACID [INCI]
Common Name English
1-PENTANE CARBOXYLIC ACID
Systematic Name English
NSC-35598
Code English
N-CAPROIC ACID [MI]
Common Name English
NSC-8266
Code English
1-HEXANOIC ACID
Systematic Name English
PENTYLFORMIC ACID
Systematic Name English
FEMA NO. 2559
Code English
N-CAPROIC ACID
MI  
Common Name English
HEXANOIC ACID
FCC   FHFI  
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION HEXANOIC ACID
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
NCI_THESAURUS C68391
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
EPA PESTICIDE CODE 128917
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
NCI_THESAURUS C68421
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
Code System Code Type Description
MESH
C037652
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID7021607
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
NSC
35598
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
FDA UNII
1F8SN134MX
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
SMS_ID
100000161166
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-550-7
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
MERCK INDEX
m3031
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C68330
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
WIKIPEDIA
HEXANOIC ACID
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
NSC
8266
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
JECFA MONOGRAPH
265
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
EVMPD
SUB174835
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
CAS
142-62-1
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
PUBCHEM
8892
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
CHEBI
30776
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
HSDB
6813
Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
PARENT -> CONSTITUENT ALWAYS PRESENT
USP
SALT/SOLVATE -> PARENT
LIPID -> FATTY ACID
JB Rossell and co-workers; JAOCS62(2), 221-230(1985). Range weight is a mean.
Related Record Type Details
ACTIVE MOIETY