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Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL ISOVALERATE

SMILES

CCCCCCCOC(=O)CC(C)C

InChI

InChIKey=NPBMPHKEFVCCEY-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
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 Sat Dec 16 04:40:58 GMT 2023
Edited
by admin
on Sat Dec 16 04:40:58 GMT 2023
Record UNII
479G1Y20YZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL ISOVALERATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, HEPTYL ESTER
Common Name English
N-HEPTYL ISOVALERATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
260-170-9
Created by admin on Sat Dec 16 04:40:59 GMT 2023 , Edited by admin on Sat Dec 16 04:40:59 GMT 2023
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CAS
56423-43-9
Created by admin on Sat Dec 16 04:40:59 GMT 2023 , Edited by admin on Sat Dec 16 04:40:59 GMT 2023
PRIMARY
PUBCHEM
91850
Created by admin on Sat Dec 16 04:40:59 GMT 2023 , Edited by admin on Sat Dec 16 04:40:59 GMT 2023
PRIMARY
FDA UNII
479G1Y20YZ
Created by admin on Sat Dec 16 04:40:59 GMT 2023 , Edited by admin on Sat Dec 16 04:40:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID40204984
Created by admin on Sat Dec 16 04:40:59 GMT 2023 , Edited by admin on Sat Dec 16 04:40:59 GMT 2023
PRIMARY