2-(acetyloxy)ethyl acetate

• ChemBase ID: 109148
• Molecular Formular: C6H10O4
• Molecular Mass: 146.1412
• Monoisotopic Mass: 146.0579088
• SMILES: CC(=O)OCCOC(=O)C
• Canonical SMILES: CC(=O)OCCOC(=O)C
• InChI: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
• InChIKey: JTXMVXSTHSMVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(acetyloxy)ethyl acetate
• IUPAC Traditional name: ethylene glycol diacetate
• Synonyms: 1,2-DIACETOXYETHANE; 1,2-Diacetoxyethane; Ethylene diacetate; Glycol diacetate; Ethylene glycol diacetate; 1,2-乙二醇二乙酸酯; 乙二醇二醋酸酯; 二乙酸乙二醇酯; 乙二醇二乙酸酯

Database IDs

• CAS Number: 111-55-7
• EC Number: 203-881-1
• MDL Number: MFCD00008718
• Beilstein Number: 1762308
• PubChem SID: 162095025; 24874480
• PubChem CID: 8121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.32642826
• LogD (pH = 7.4): -0.32642826
• Log P: -0.32642826
• Molar Refractivity: 32.8566 cm^3
• Polarizability: 13.4318905 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -41 °C(lit.)
• Boiling Point: 186-187 °C(lit.)
• Flash Point: 186.8 °F; 187 °F; 86 °C
• Auto Ignition Point: 899 °F
• Density: 1.128 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.415; n20/D 1.415(lit.)
• Vapor Pressure: 0.2 mmHg ( 20 °C)
• Vapor Density: 5.04 (vs air)

Safety Information

• RTECS: KW4025000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 1.6 %, 135 °F; 8.4 %, 154 °F
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: ≥98.0% (GC); ≥99%; 99%
• Grade: purum
• Linear Formula: CH3COOCH2CH2OCOCH3

DETAILS

MP Biomedicals - 05210019

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 525200

Packaging
20 L in poly drum
500 mL in poly bottle
4 L in poly bottle