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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ISOVALERATE

SMILES

CCCCOC(=O)CC(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:39:25 GMT 2023
Edited
by admin
on Fri Dec 15 17:39:25 GMT 2023
Record UNII
4UX6V9QM2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL ISOVALERATE
FCC   FHFI   HSDB  
Systematic Name English
BUTYL ISOVALERATE [FCC]
Common Name English
BUTYL ISOVALERATE [FHFI]
Common Name English
N-BUTYL 3-METHYLBUTYRATE
Common Name English
BUTANOIC ACID, 3-METHYL-, BUTYL ESTER
Common Name English
FEMA NO. 2218
Code English
NSC-6187
Code English
BUTYL 3-METHYL BUTYRATE
Common Name English
BUTYL ISOVALERATE [HSDB]
Common Name English
N-BUTYL ISOVALERATE
Common Name English
BUTYL 3-METHYL BUTANOATE
Common Name English
ISOVALERIC ACID, BUTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BUTYL ISOVALERATE
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
Code System Code Type Description
SMS_ID
100000178174
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
DAILYMED
4UX6V9QM2J
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
PUBCHEM
7981
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
HSDB
6383
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID9047621
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
NSC
6187
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
JECFA MONOGRAPH
204
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
RXCUI
2548036
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
CAS
109-19-3
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
FDA UNII
4UX6V9QM2J
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-654-7
Created by admin on Fri Dec 15 17:39:25 GMT 2023 , Edited by admin on Fri Dec 15 17:39:25 GMT 2023
PRIMARY