3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl laurate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H34O4
Molecular Weight	302.4495
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl laurate

Structure Search

SMILES

CCCCCCCCCCCC(=O)OCC(C)(CO)CO

InChI

InChIKey=GHEGJIFLIHDVPQ-UHFFFAOYSA-N

InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-16(20)21-15-17(2,13-18)14-19/h18-19H,3-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C17H34O4
Molecular Weight	302.4495
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 12:31:43 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:43 GMT 2023`
Record UNII	6WC5NGY57W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl laurate

Systematic Name

English

Dodecanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester

Systematic Name

English

3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl dodecanoate

Systematic Name

English

Code System Code Type Description

CAS

85376-06-3

Created by admin on Sat Dec 16 12:31:43 GMT 2023 , Edited by admin on Sat Dec 16 12:31:43 GMT 2023

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FDA UNII

6WC5NGY57W

Created by admin on Sat Dec 16 12:31:43 GMT 2023 , Edited by admin on Sat Dec 16 12:31:43 GMT 2023

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ECHA (EC/EINECS)

286-749-6

Created by admin on Sat Dec 16 12:31:43 GMT 2023 , Edited by admin on Sat Dec 16 12:31:43 GMT 2023

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EPA CompTox

DTXSID20234547

Created by admin on Sat Dec 16 12:31:43 GMT 2023 , Edited by admin on Sat Dec 16 12:31:43 GMT 2023

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PUBCHEM

16205611

Created by admin on Sat Dec 16 12:31:43 GMT 2023 , Edited by admin on Sat Dec 16 12:31:43 GMT 2023

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