2-methoxyacetic acid

• ChemBase ID: 108714
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: COCC(=O)O
• Canonical SMILES: COCC(=O)O
• InChI: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
• InChIKey: RMIODHQZRUFFFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyacetic acid
• IUPAC Traditional name: methoxyacetic acid
• Synonyms: Methoxyacetic acid; METHOXYACETIC ACID; 2-Methoxyacetic acid; 甲氧基乙酸

Database IDs

• CAS Number: 625-45-6
• EC Number: 210-894-6
• MDL Number: MFCD00004308
• Beilstein Number: 635800
• PubChem SID: 162094409; 24883559; 24851659
• PubChem CID: 12251

CALCULATED PROPERTIES

• Acid pKa: 3.8267145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0738652
• LogD (pH = 7.4): -3.6473775
• Log P: -0.39746726
• Molar Refractivity: 19.0971 cm^3
• Polarizability: 7.609761 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202°C; 7-9 °C(lit.); 8°C
• Boiling Point: 202-204 °C(lit.); 202-204°C
• Flash Point: 114°C(237°F); 121 °C; 249.8 °F
• Density: 1.174; 1.174 g/mL at 25 °C(lit.)
• Refractive Index: 1.4165; n20/D 1.417; n20/D 1.417(lit.)

Safety Information

• RTECS: AI8650000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 3265; UN3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 60-61-22-34; R:34
• Safety Statements: 53-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H360FD; H360-H314-H302
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P310; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: CH3OCH2COOH

DETAILS

MP Biomedicals - 05208435

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 194557

Packaging
50, 250 g in glass bottle

REFERENCES

• Reacts with thionyl chloride on prolonged refluxing, to give chloromethyl methyl ether, reportedly free from the highly carcinogenic bis(chloromethyl)ether: Synthesis, 727 (1984).