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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOHEXYL NEOPENTANOATE

SMILES

CC(C)CCCOC(=O)C(C)(C)C

InChI

InChIKey=PCUXMDACXTVDGR-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-9(2)7-6-8-13-10(12)11(3,4)5/h9H,6-8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 Wed Apr 02 00:12:53 GMT 2025
Edited
by admin
on Wed Apr 02 00:12:53 GMT 2025
Record UNII
FMW4FP7FE5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOHEXYL NEOPENTANOATE
INCI  
Official Name English
SCHERCEMOL 65
Preferred Name English
4-METHYLPENTYL 2,2-DIMETHYLPROPANOATE
Systematic Name English
PROPANOIC ACID, 2,2-DIMETHYL-, 4-METHYLPENTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
150588-62-8
Created by admin on Wed Apr 02 00:12:53 GMT 2025 , Edited by admin on Wed Apr 02 00:12:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID701010035
Created by admin on Wed Apr 02 00:12:53 GMT 2025 , Edited by admin on Wed Apr 02 00:12:53 GMT 2025
PRIMARY
FDA UNII
FMW4FP7FE5
Created by admin on Wed Apr 02 00:12:53 GMT 2025 , Edited by admin on Wed Apr 02 00:12:53 GMT 2025
PRIMARY
PUBCHEM
546056
Created by admin on Wed Apr 02 00:12:53 GMT 2025 , Edited by admin on Wed Apr 02 00:12:53 GMT 2025
PRIMARY