NEOPENTYL GLYCOL DIBENZOATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H20O4
Molecular Weight	312.3597
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NEOPENTYL GLYCOL DIBENZOATE

Structure Search

SMILES

CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

InChI

InChIKey=DYJIIMFHSZKBDY-UHFFFAOYSA-N

InChI=1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C19H20O4
Molecular Weight	312.3597
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 18:51:43 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:43 GMT 2025`
Record UNII	JBP9MR90CQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NEOPENTYL GLYCOL DIBENZOATE

Systematic Name

English

NSC-166504

Preferred Name

English

1,3-PROPANEDIOL, 2,2-DIMETHYL-, 1,3-DIBENZOATE

Common Name

English

Code System Code Type Description

PUBCHEM

20169

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY

FDA UNII

JBP9MR90CQ

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY

ECHA (EC/EINECS)

224-081-9

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY

EPA CompTox

DTXSID1038822

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY

CAS

4196-89-8

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY

NSC

166504

Created by admin on Mon Mar 31 18:51:43 GMT 2025 , Edited by admin on Mon Mar 31 18:51:43 GMT 2025

PRIMARY