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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-METHYLVALERATE

SMILES

COC(=O)CCC(C)C

InChI

InChIKey=KBCOVKHULBZKNY-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
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 18:43:47 GMT 2023
Edited
by admin
on Fri Dec 15 18:43:47 GMT 2023
Record UNII
J4R2BY5GJT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-METHYLVALERATE
FHFI  
Systematic Name English
VALERIC ACID, 4-METHYL-, METHYL ESTER
Common Name English
PENTANOIC ACID, 4-METHYL-, METHYL ESTER
Common Name English
FEMA NO. 2721
Code English
METHYL ISOHEXANOATE
Systematic Name English
METHYL 4-METHYLVALERATE [FHFI]
Common Name English
METHYL 4-METHYL VALERATE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
JECFA EVALUATION METHYL 4-METHYLVALERATE
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
37
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY
CAS
2412-80-8
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-320-9
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY
FDA UNII
J4R2BY5GJT
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY
PUBCHEM
17008
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID0062393
Created by admin on Fri Dec 15 18:43:47 GMT 2023 , Edited by admin on Fri Dec 15 18:43:47 GMT 2023
PRIMARY