2-(2-methoxyethoxy)acetic acid

• ChemBase ID: 147101
• Molecular Formular: C5H10O4
• Molecular Mass: 134.1305
• Monoisotopic Mass: 134.0579088
• SMILES: COCCOCC(=O)O
• Canonical SMILES: COCCOCC(=O)O
• InChI: InChI=1S/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)
• InChIKey: CLLLODNOQBVIMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)acetic acid
• IUPAC Traditional name: (2-methoxyethoxy)acetic acid
• Synonyms: 2-(2-Methoxyethoxy)acetic acid; O-(2-Methoxyethyl)glycolic acid; 2-(2-Methoxyethoxy)acetic acid; 2-(2-甲烷氧基乙氧基)乙酸; O-(2-甲氧基乙基)乙醇酸; 2-(2-甲氧基乙氧基)乙酸

Database IDs

• CAS Number: 16024-56-9
• EC Number: 240-161-6
• MDL Number: MFCD00044097
• Beilstein Number: 1753567
• PubChem SID: 162241292; 24865417
• PubChem CID: 27642

CALCULATED PROPERTIES

• Acid pKa: 3.8848124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0647802
• LogD (pH = 7.4): -3.6658144
• Log P: -0.44444278
• Molar Refractivity: 30.1406 cm^3
• Polarizability: 11.988672 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 245-250 °C(lit.); 245-250°C
• Flash Point: 180 °C; 180°C(356°F); 356 °F
• Density: 1.18 g/mL at 25 °C(lit.); 1.180
• Refractive Index: 1.4355; n20/D 1.436; n20/D 1.436(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 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: ≥90% (GC); 98%
• Grade: technical; technical grade
• Linear Formula: CH3OCH2CH2OCH2CO2H

DETAILS

Sigma Aldrich - 407011

Packaging
1 L in glass bottle
250 mL in glass bottle