2,2-BIS(HYDROXYMETHYL)BUTYL DOCOSANOATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H56O4
Molecular Weight	456.7418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-BIS(HYDROXYMETHYL)BUTYL DOCOSANOATE

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO

InChI

InChIKey=YCUULKHNJZXLCO-UHFFFAOYSA-N

InChI=1S/C28H56O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(31)32-26-28(4-2,24-29)25-30/h29-30H,3-26H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C28H56O4
Molecular Weight	456.7418
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 `Sat Dec 16 12:17:59 GMT 2023` Edited by `admin` on `Sat Dec 16 12:17:59 GMT 2023`
Record UNII	K6U9U77BLX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,2-BIS(HYDROXYMETHYL)BUTYL DOCOSANOATE

Systematic Name

English

DOCOSANOIC ACID, 2,2-BIS(HYDROXYMETHYL)BUTYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80241015

Created by admin on Sat Dec 16 12:17:59 GMT 2023 , Edited by admin on Sat Dec 16 12:17:59 GMT 2023

PRIMARY

CAS

94201-60-2

Created by admin on Sat Dec 16 12:17:59 GMT 2023 , Edited by admin on Sat Dec 16 12:17:59 GMT 2023

PRIMARY

FDA UNII

K6U9U77BLX

Created by admin on Sat Dec 16 12:17:59 GMT 2023 , Edited by admin on Sat Dec 16 12:17:59 GMT 2023

PRIMARY

ECHA (EC/EINECS)

303-648-5

Created by admin on Sat Dec 16 12:17:59 GMT 2023 , Edited by admin on Sat Dec 16 12:17:59 GMT 2023

PRIMARY

PUBCHEM

3023996

Created by admin on Sat Dec 16 12:17:59 GMT 2023 , Edited by admin on Sat Dec 16 12:17:59 GMT 2023

PRIMARY