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Details

Stereochemistry ACHIRAL
Molecular Formula C21H40O4
Molecular Weight 356.5399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOPENTYL GLYCOL DICAPRYLATE

SMILES

CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC

InChI

InChIKey=WFXHUBZUIFLWCV-UHFFFAOYSA-N
InChI=1S/C21H40O4/c1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2/h5-18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H40O4
Molecular Weight 356.5399
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:28 GMT 2023
Edited
by admin
on Sat Dec 16 01:53:28 GMT 2023
Record UNII
J888K71638
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOPENTYL GLYCOL DICAPRYLATE
Systematic Name English
OCTANOIC ACID, 2,2-DIMETHYLTRIMETHYLENE ESTER
Common Name English
OCTANOIC ACID, 2,2-DIMETHYL-1,3-PROPANEDIYL ESTER
Common Name English
NEOPENTYLGLYCOL DIOCTANOATE
Common Name English
OCTANOIC ACID, 1,1'-(2,2-DIMETHYL-1,3-PROPANEDIYL) ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-575-9
Created by admin on Sat Dec 16 01:53:28 GMT 2023 , Edited by admin on Sat Dec 16 01:53:28 GMT 2023
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FDA UNII
J888K71638
Created by admin on Sat Dec 16 01:53:28 GMT 2023 , Edited by admin on Sat Dec 16 01:53:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID80865593
Created by admin on Sat Dec 16 01:53:28 GMT 2023 , Edited by admin on Sat Dec 16 01:53:28 GMT 2023
PRIMARY
PUBCHEM
160200
Created by admin on Sat Dec 16 01:53:28 GMT 2023 , Edited by admin on Sat Dec 16 01:53:28 GMT 2023
PRIMARY
CAS
31335-74-7
Created by admin on Sat Dec 16 01:53:28 GMT 2023 , Edited by admin on Sat Dec 16 01:53:28 GMT 2023
PRIMARY