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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 2-ETHYLBUTYRIC ACID

SMILES

CCC(CC)C(O)=O

InChI

InChIKey=OXQGTIUCKGYOAA-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(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

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Intestinal fermentation in patients with self-reported food hypersensitivity: painful, but protective?
2010
Patents

Patents

04609650
17
05380729
4
06767922
1
JP2008222688A
1
JPH11140483A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:02:09 GMT 2023
Edited
by admin
on Fri Dec 15 17:02:09 GMT 2023
Record UNII
IDY8B990KE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLBUTYRIC ACID
FCC   FHFI  
Systematic Name English
3-PENTANECARBOXYLIC ACID
Systematic Name English
DIETHYLACETIC ACID [MI]
Common Name English
2-ETHYLBUTYRIC ACID [FHFI]
Common Name English
2-ETHYLBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2-ETHYL-
Common Name English
BUTYRIC ACID, 2-ETHYL-
Common Name English
ACETIC ACID, DIETHYL-
Common Name English
.ALPHA.-ETHYLBUTYRIC ACID
Systematic Name English
2-ETHYLBUTYRIC ACID [FCC]
Common Name English
DIETHYLACETIC ACID
MI  
Systematic Name English
2-ETHYL BUTANOIC ACID
Systematic Name English
NSC-11765
Code English
FEMA NO. 2429
Code English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
EPA PESTICIDE CODE 431700
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
JECFA EVALUATION 2-ETHYLBUTYRIC ACID
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
Code System Code Type Description
EVMPD
SUB176896
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
NSC
11765
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
FDA UNII
IDY8B990KE
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID2041418
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
PUBCHEM
6915
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
SMS_ID
100000162879
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-796-4
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
CAS
88-09-5
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
JECFA MONOGRAPH
433
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY
MERCK INDEX
m4391
Created by admin on Fri Dec 15 17:02:09 GMT 2023 , Edited by admin on Fri Dec 15 17:02:09 GMT 2023
PRIMARY Merck Index
NIH
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