Propanoic acid, 3-hydroxy-, methyl ester

HCID 80252CAS 6149-41-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCO
InChIKey
RVGLEPQPVDUSOJ-UHFFFAOYSA-N
Molecular formula
C4H8O3
Average molar mass
104.1 g/mol
Monoisotopic mass
104.04734412

Overview

2-Methyl-3-hydroxypropanoate is a 3-hydroxy carboxylic acid.

Names & identifiers

Preferred name
Propanoic acid, 3-hydroxy-, methyl ester
IUPAC
methyl 3-hydroxypropanoate
English name
Methyl 3-hydroxypropanoate
Molecular formula
C4H8O3
Molecular weight
104.1

Names & synonyms

Methyl 3-hydroxypropanoate6149-41-3Propanoic acid, 3-hydroxy-, methyl esterMethyl hydracrylateDTXSID90210454RefChem:869392DTXCID90132945817-682-8InChI=1/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1HMFCD00272293methyl 3-hydroxypropionate3-hydroxypropanoic acid methyl ester
Show more names
Methyl3-hydroxypropionateMethyl beta-hydroxypropionateMethyl gamma-hydroxypropionateMETHYL 3-HYDROXYPROPANOATE 97%3-hydroxy-propanoicacidmethylester
Hydracrylic acid, methyl estermethyl-3-hydroxypropionate3-Hydroxy-propanoic acid methyl esterHOCH2CH2C(O)OCH32-Methyl-3-hydroxypropanoateMethyl .beta.-hydroxypropionateAKOS005174176SY008913

Database identifiers

CAS
6149-41-3
PubChem CID
80252
DTXSID
DTXSID90210454
ChEBI
CHEBI:173366
EC Number
817-682-8
Nikkaji
J24.770G

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
147 · 147-148 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
Boiling point
179 °C · 179°C (estimate)
Density
1.105 · 1.1050
refractive index
1.43 · 1.4300
storage temp.
2 · 2-8°C
solubility
Chloroform, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2918199890
Signal word
Danger
Symbol(GHS)
GHS07,GHS02
hazard_class
IRRITANT
Hazard statements
H315-H319-H225
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Applications · 2 items

UsesMethyl 3-hydroxypropanoate is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].

General DescriptionMethyl 3-hydroxypropanoate is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs.PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins.

Upstream & downstream products

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Additional notes

DefinitionChEBI: 2-Methyl-3-hydroxypropanoate is a 3-hydroxy carboxylic acid.

Related reactions

9 records
New reaction record

Linked notes

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