2-ethoxyacetic acid

• ChemBase ID: 91080
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: O(CC(=O)O)CC
• Canonical SMILES: CCOCC(=O)O
• InChI: InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
• InChIKey: YZGQDNOIGFBYKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyacetic acid
• IUPAC Traditional name: acetic acid, ethoxy-
• Synonyms: Ethoxyacetic acid; O-Ethylglycolic acid; Ethoxyacetic acid; O-乙基羟基乙酸; 乙氧基乙酸

Database IDs

• CAS Number: 627-03-2
• EC Number: 210-978-2
• MDL Number: MFCD00004310
• Beilstein Number: 1743037
• PubChem SID: 24845366; 162077784; 24848312
• PubChem CID: 12301

CALCULATED PROPERTIES

• Acid pKa: 4.035444
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5161428
• LogD (pH = 7.4): -3.1790478
• Log P: -0.0406593
• Molar Refractivity: 23.8457 cm^3
• Polarizability: 9.41032 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 207°C; 95-97°C; 97-100 °C/11 mmHg(lit.)
• Flash Point: 206.6 °F; 97 °C; 97°C(206°F)
• Density: 1.10 g/ml; 1.102; 1.102 g/mL at 25 °C(lit.)
• Refractive Index: 1.4190; n20/D 1.419; n20/D 1.419(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: AH3600000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• 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: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: C2H5OCH2COOH

DETAILS

MP Biomedicals - 02157956

Light yellow liquid.
1 ml = approx. 1.10 g

Sigma Aldrich - 137111

Packaging
25, 100 g in glass bottle