2-[2-(2-methoxyethoxy)ethoxy]acetic acid

• ChemBase ID: 147389
• Molecular Formular: C7H14O5
• Molecular Mass: 178.18306
• Monoisotopic Mass: 178.08412355
• SMILES: COCCOCCOCC(=O)O
• Canonical SMILES: COCCOCCOCC(=O)O
• InChI: InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)
• InChIKey: YHBWXWLDOKIVCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyethoxy)ethoxy]acetic acid
• IUPAC Traditional name: [2-(2-methoxyethoxy)ethoxy]acetic acid
• Synonyms: O-[2-(2-Methoxyethoxy)ethyl]glycolic acid; 2-[2-(2-Methoxyethoxy)ethoxy]acetic acid; 2-[2-(2-甲氧基乙氧基)乙氧基]乙酸

Database IDs

• CAS Number: 16024-58-1
• EC Number: 240-162-1
• MDL Number: MFCD00044098
• Beilstein Number: 1769137
• PubChem SID: 162241577; 24865416
• PubChem CID: 85241

CALCULATED PROPERTIES

• Acid pKa: 3.618135
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.3692787
• LogD (pH = 7.4): -3.8280432
• Log P: -0.49141827
• Molar Refractivity: 41.1841 cm^3
• Polarizability: 16.374624 Å^3
• Polar Surface Area: 64.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.161 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446; n20/D 1.446(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 3

Product Information

• Purity: ≥90% (GC)
• Grade: technical; technical grade
• Linear Formula: CH3(OCH2CH2)2OCH2CO2H

DETAILS

Sigma Aldrich - 407003

Packaging
250 mL in glass bottle