2-Methoxypropanoic acid

HCID 92209

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Basic information

CAS: 4324-37-2
Standard SMILES: COC(C)C(=O)O
InChIKey: ICPWFHKNYYRBSZ-UHFFFAOYSA-N
Molecular formula: C4H8O3
Average molar mass: 104.1 g/mol
Monoisotopic mass: 104.04734412

Overview

structure given in first source

Names & identifiers

Preferred name: 2-Methoxypropanoic acid
IUPAC: 2-methoxypropanoic acid
English name: 2-methoxypropionic acid
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

2-Methoxypropanoic acid2-Methoxypropionic acid4324-37-2Propanoic acid, 2-methoxy-288B9CW12DDTXSID6044018RefChem:87944DTXCID4024018224-356-3MFCD00126928UNII-288B9CW12D(+/-)-2-methoxypropanoic acid

Show more names

2021.11.2UNII:288B9CW12D2-Methoxypropionsurealpha-Methoxypropionic acid2-methoxypropanoic acid(SALTDATA: FREE)

BS-12704EN300-51257Q272542862-methoxypropionicacidPropionic acid, 2-methoxy-EINECS 224-356-3Propanoic acid, 2-mpolylactic acid (PLA)

Database identifiers

CAS: 4324-37-2
PubChem CID: 92209
DTXSID: DTXSID6044018
UNII: 288B9CW12D
EC Number: 224-356-3
Nikkaji: J205.707G

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 69.3

Physicochemical properties

Melting point: 128.5 °C · 128.5 °C
Boiling point: 199 ℃ · 199℃
Density: 1.085 · 1.085
Flash point: 87 ℃ · 87℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 3.59 · 3.59±0.10(Predicted)
color: Colorless
InChI: InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey: ICPWFHKNYYRBSZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C(OC)C
FDA UNII: 288 B9CW12D · 288B9CW12D
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.6%): 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 32 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.6%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501