2-[2-(acetyloxy)ethoxy]ethyl acetate

• ChemBase ID: 140745
• Molecular Formular: C8H14O5
• Molecular Mass: 190.19376
• Monoisotopic Mass: 190.08412355
• SMILES: CC(=O)OCCOCCOC(=O)C
• Canonical SMILES: CC(=O)OCCOCCOC(=O)C
• InChI: InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
• InChIKey: UBPGILLNMDGSDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(acetyloxy)ethoxy]ethyl acetate
• IUPAC Traditional name: 2-[2-(acetyloxy)ethoxy]ethyl acetate
• Synonyms: 2,2′-Oxybisethanol diacetate; Bis(2-acetoxyethyl) ether; Oxydiethylene acetate; Diethyleneglycol diacetate; 2,2′-氧基二乙醇二乙酸酯; 二乙酸二甘醇酯; 二甘醇二醋酸酯; 二乙二醇二乙酸酯

Database IDs

• CAS Number: 628-68-2
• EC Number: 211-049-4
• MDL Number: MFCD00026211
• PubChem SID: 162234985; 24884525
• PubChem CID: 69411

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.37340376
• LogD (pH = 7.4): -0.37340376
• Log P: -0.37340376
• Molar Refractivity: 43.9001 cm^3
• Polarizability: 17.821848 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.101 g/mL at 25 °C
• Refractive Index: n20/D 1.431

Safety Information

• RTECS: AJ1800000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (H3CCO2CH2CH2)2O

DETAILS

Sigma Aldrich - 661368

Packaging
5, 25 g in glass bottle