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Details

Stereochemistry ACHIRAL
Molecular Formula C21H42O2
Molecular Weight 326.557
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl heptadecanoate

SMILES

CCCCCCCCCCCCCCCCC(=O)OCCCC

InChI

InChIKey=JXVPAYIPRLGMCX-UHFFFAOYSA-N
InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-6-4-2/h3-20H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H42O2
Molecular Weight 326.557
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 Tue Apr 01 18:39:40 GMT 2025
Edited
by admin
on Tue Apr 01 18:39:40 GMT 2025
Record UNII
MP5HT9T2LF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Heptadecanoic acid, butyl ester
Preferred Name English
Butyl heptadecanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
3016338
Created by admin on Tue Apr 01 18:39:40 GMT 2025 , Edited by admin on Tue Apr 01 18:39:40 GMT 2025
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CAS
42232-36-0
Created by admin on Tue Apr 01 18:39:40 GMT 2025 , Edited by admin on Tue Apr 01 18:39:40 GMT 2025
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EPA CompTox
DTXSID00195061
Created by admin on Tue Apr 01 18:39:40 GMT 2025 , Edited by admin on Tue Apr 01 18:39:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-726-2
Created by admin on Tue Apr 01 18:39:40 GMT 2025 , Edited by admin on Tue Apr 01 18:39:40 GMT 2025
PRIMARY
FDA UNII
MP5HT9T2LF
Created by admin on Tue Apr 01 18:39:40 GMT 2025 , Edited by admin on Tue Apr 01 18:39:40 GMT 2025
PRIMARY