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Details

Stereochemistry ACHIRAL
Molecular Formula C20H40O2
Molecular Weight 312.5304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-Trimethylpentyl laurate

SMILES

CCCCCCCCCCCC(=O)OCC(C)(C)CC(C)C

InChI

InChIKey=AOVJXHIIJRHNOT-UHFFFAOYSA-N
InChI=1S/C20H40O2/c1-6-7-8-9-10-11-12-13-14-15-19(21)22-17-20(4,5)16-18(2)3/h18H,6-17H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2,2,4-Trimethylpentyl laurate
Systematic Name English
2,2,4-Trimethylpentyl dodecanoate
Preferred Name English
Dodecanoic acid, 2,2,4-trimethylpentyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
3018230
Created by admin on Wed Apr 02 19:52:41 GMT 2025 , Edited by admin on Wed Apr 02 19:52:41 GMT 2025
PRIMARY
FDA UNII
RC23J822RU
Created by admin on Wed Apr 02 19:52:41 GMT 2025 , Edited by admin on Wed Apr 02 19:52:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID80992272
Created by admin on Wed Apr 02 19:52:41 GMT 2025 , Edited by admin on Wed Apr 02 19:52:41 GMT 2025
PRIMARY
CAS
71672-90-7
Created by admin on Wed Apr 02 19:52:41 GMT 2025 , Edited by admin on Wed Apr 02 19:52:41 GMT 2025
PRIMARY
NIH
NCATS
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