PENTAERYTHRITYL DICAPRYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H40O6
Molecular Weight	388.5387
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTAERYTHRITYL DICAPRYLATE

Structure Search

SMILES

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

InChI

InChIKey=GZJYBYBQDJAIJV-UHFFFAOYSA-N

InChI=1S/C21H40O6/c1-3-5-7-9-11-13-19(24)26-17-21(15-22,16-23)18-27-20(25)14-12-10-8-6-4-2/h22-23H,3-18H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H40O6
Molecular Weight	388.5387
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 `Mon Mar 31 22:08:44 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:44 GMT 2025`
Record UNII	94Q38N3U0Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTAERYTHRITYL DICAPRYLATE

Common Name

English

OCTANOIC ACID, 1,1'-(2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIYL) ESTER

Preferred Name

English

PENTAERYTHRITOL DICAPRYLATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

259-750-4

Created by admin on Mon Mar 31 22:08:44 GMT 2025 , Edited by admin on Mon Mar 31 22:08:44 GMT 2025

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FDA UNII

94Q38N3U0Y

Created by admin on Mon Mar 31 22:08:44 GMT 2025 , Edited by admin on Mon Mar 31 22:08:44 GMT 2025

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PUBCHEM

11618009

Created by admin on Mon Mar 31 22:08:44 GMT 2025 , Edited by admin on Mon Mar 31 22:08:44 GMT 2025

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EPA CompTox

DTXSID10204198

Created by admin on Mon Mar 31 22:08:44 GMT 2025 , Edited by admin on Mon Mar 31 22:08:44 GMT 2025

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CAS

55680-37-0

Created by admin on Mon Mar 31 22:08:44 GMT 2025 , Edited by admin on Mon Mar 31 22:08:44 GMT 2025

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