CAS 29674-47-3 Methyl 2-hydroxybutanoate (HCID 520445)

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Basic information

CAS: 29674-47-3
Standard SMILES: CCC(O)C(=O)OC
InChIKey: DDMCDMDOHABRHD-UHFFFAOYSA-N
Molecular formula: C5H10O3
Average molar mass: 118.13 g/mol
Monoisotopic mass: 118.06299418

Overview

Methyl 2-hydroxybutanoate has been reported in Carica papaya and Mangifera indica with data available.

Names & identifiers

Preferred name: Methyl 2-hydroxybutanoate
IUPAC: methyl 2-hydroxybutanoate
English name: 2-Hydroxybutanoic acid methyl ester
Molecular formula: C5H10O3
Molecular weight: 118.13

Names & synonyms

Methyl 2-hydroxybutanoate29674-47-3Butanoic acid, 2-hydroxy-, methyl estermethyl 2-hydroxybutyrateButyric acid, 2-hydroxy-, methyl esterMethyl .alpha.-hydroxybutyrateDTXSID00334352Methyl alpha-hydroxybutyrateMethyl ester of 2-hydroxy-butanoic acidRefChem:157346DTXCID10285442DDMCDMDOHABRHD-UHFFFAOYSA-N

Show more names

Methyl=2-hydroxybutanoate2-Hydroxybutyric acid methyl ester2-Hydroxybutanoic acid methyl ester

MFCD00229603Methyl2-hydroxybutanoateAKOS011495898BS-12394EN300-124198F71631MHBAButanoic acid, hydroxy-, methyl ester

Database identifiers

CAS: 29674-47-3
PubChem CID: 520445
DTXSID: DTXSID00334352
EC Number: 621-533-0
Nikkaji: J101.053K

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 79.7

Physicochemical properties

Boiling point: 68 °C · 68 °C(Press: 30 Torr)
Density: 1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.07 · 13.07±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 319 · H319-H226
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02,GHS07
Hazard statements: H319-H226
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

UsesMethyl 2-Hydroxybutanoate is an intermediate used in the synthesis of Bis(2-butoxyethyl) 2-(2-Hydroxybutoxy)ethyl Phosphate Triester (B415225),which is derived from Bis(2-butoxyethyl) 2-Hydroxyethyl Phosphate Triester (B415190) that is a metabolite of Tris(2-butyloxyethyl)phosphate (T875030), an organophosphate, that can be used in the preparation of flame retardant, such as viscose fiber.