Basic information
- Name:
1,3-Propanediol,1,3-diacetate
- Superlist Name:
- Trimethylene acetate
- CAS No.:
628-66-0
- Molecular Structure:
- Formula:
- C7H12 O4
- Molecular Weight:
- 160.16
- Synonyms:
- 1,3-Propanediol,diacetate (6CI,7CI,8CI,9CI); 1,3-Bis(acetyloxy)propane; 1,3-Diacetoxypropane;1,3-Propylene diacetate; 1,3-Propylene glycol diacetate; NSC 227936;Trimethylene acetate
- Boiling Point:
- 209-210°C
- Appearance:
- UN1993
- Risk Codes:
- 10
- Safety Description:
- 16 Details
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Chemistry
Molecular Structure of Trimethylene acetate (CAS No.628-66-0):
Molecular Formula: C7H12O4
Molecular Weight: 160.1678
IUPAC Name: 3-Acetyloxypropyl acetate
CAS No: 628-66-0
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.417
Molar Refractivity: 38.02 cm3
Molar Volume: 151 cm3
Surface Tension: 32.3 dyne/cm
Density: 1.06 g/cm3
Flash Point: 97.5 °C
Enthalpy of Vaporization: 44.65 kJ/mol
Boiling Point: 210.2 °C at 760 mmHg
Vapour Pressure: 0.195 mmHg at 25°C
InChI: InChI=1/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3
InChIKey: DSVGICPKBRQDDX-UHFFFAOYAN
Std. InChI: InChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3
Std. InChIKey: DSVGICPKBRQDDX-UHFFFAOYSA-N
Synonyms of Trimethylene acetate (CAS No.628-66-0): 1,3-Propylene diacetate ; 1,3-Propylene glycol diacetate ; 3-(Acetyloxy)Propyl acetate ; Diacetate of 1,3-propanediol ; Trimethylene acetate ; Timtec-bb sbb008022 ; 1,3-Diacetoxypropane ; 1,3-Propanediol diacetate
Safety Profile
Risk Statements:10
R10:Flammable.
Safety Statements:16
S16:Keep away from sources of ignition.
RIDADR:1993