(2-Hydroxyethoxy)acetic acid

HCID 25935CAS 13382-47-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)COCCO
InChIKey
VDNMIIDPBBCMTM-UHFFFAOYSA-N
Molecular formula
C4H8O4
Average molar mass
120.1 g/mol
Monoisotopic mass
120.04225874

Overview

metabolite of both dioxane and diethylene glycol

Names & identifiers

Preferred name
(2-Hydroxyethoxy)acetic acid
IUPAC
2-(2-hydroxyethoxy)acetic acid
English name
beta-hydroxyethoxyacetic acid
Molecular formula
C4H8O4
Molecular weight
120.1

Names & synonyms

13382-47-3(2-HYDROXYETHOXY)ACETIC ACIDbeta-Hydroxyethoxyacetic acid6KG0T74LYTDTXSID70158385RefChem:119392DTXCID00808762-(2-hydroxyethoxy)acetic acidAcetic acid,2-(2-hydroxyethoxy)-Acetic acid, (2-hydroxyethoxy)-HO-PEG-CH2COOH, MW 2,0002-hydroxyethoxyacetic acid
Show more names
Hydroxy-PEG1-CH2COOHAcetic acid,2-(2-hydroxyethoxy)Acetic acid,2-(2-hydroxyethoxy) Sodium Salt2-(2-hydroxyethoxy)acetic acid (sodium salt)2-(2-Methoxyphenoxy)propanedioic acid diethyl este
UNII-6KG0T74LYTVDNMIIDPBBCMTM-UHFFFAOYSA-NHO-PEG-CH2COOH(2-hydroxyethoxy)acetateSCHEMBL766381CHEMBL147714orb1984823SCHEMBL17980759

Database identifiers

CAS
13382-47-3
PubChem CID
25935
DTXSID
DTXSID70158385
ChEMBL
CHEMBL147714
UNII
6KG0T74LYT
Nikkaji
J440.342H

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
8

Physicochemical properties

Melting point
44 ℃ · 44℃
Boiling point
323.8 · 323.8±17.0 °C(Predicted)
Density
1.29 · 1.290
pka
3.35 · 3.35±0.10(Predicted)
FDA UNII
6 KG0T74LYT · 6KG0T74LYT

Chemistry & industry

Applications

Uses(2-Hydroxyethoxy)acetic acid (β-hydroxyethoxyacetic acid) is the main urinary metabolite of 1,4-Dioxane. (2-Hydroxyethoxy)acetic acid is a reliable and sensitive shortterm biomarker in urine[1].

Suppliers42 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
泰州葛林美克医药科技有限公司15366892466
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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