1-(acetyloxy)propan-2-yl acetate

• ChemBase ID: 112796
• Molecular Formular: C7H12O4
• Molecular Mass: 160.16778
• Monoisotopic Mass: 160.07355886
• SMILES: CC(COC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OCC(OC(=O)C)C
• InChI: InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
• InChIKey: MLHOXUWWKVQEJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(acetyloxy)propan-2-yl acetate
• IUPAC Traditional name: propylene glycol diacetate
• Synonyms: 1,2-PROPANEDIOL DIACETATE; DOWANOL® PGDA; 1,2-Diacetoxypropane; 1,2-Propanediol diacetate; Propylene diacetate; Propylene glycol diacetate; Propylene glycol diacetate; 1,2-Propanediol diacetate; 1,2-丙二醇二乙酸酯; 二乙酸-1,2-丙二酯; 二乙酸丙酯; 丙二醇二乙酸酯; 二乙酸-1,2-丙二酯

Database IDs

• CAS Number: 134236-23-0; 623-84-7
• EC Number: 210-817-6
• MDL Number: MFCD00026201
• Beilstein Number: 1768914
• PubChem SID: 162098264; 24874665
• PubChem CID: 12198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.090146765
• LogD (pH = 7.4): 0.090146765
• Log P: 0.090146765
• Molar Refractivity: 37.2754 cm^3
• Polarizability: 15.247779 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -31°C
• Boiling Point: 185-186°C; 191 °C(lit.); 91°C
• Flash Point: 87°C(188°F)
• Auto Ignition Point: 808 °F
• Density: 1.05 g/mL at 25 °C(lit.); 1.06 g/ml; 1.060
• Refractive Index: 1.4130; n20/D 1.414(lit.)

Safety Information

• RTECS: TY4900000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36
• Safety Statements: 23-26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H319-H227
• GHS Precautionary statements: P210-P280-P305+P351+P338-P337+P313-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥99.7%; 97%
• Linear Formula: CH3CH(OCOCH3)CH2OCOCH3

DETAILS

MP Biomedicals - 05225872

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 528072

Packaging
1 L in poly bottle
Legal Information
Product of Dow Chemical
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow