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627-69-0

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Basic Information
CAS No.: 627-69-0
Name: 2-HYDROXYPROPYLACETATE
Article Data: 5
Molecular Structure:
Molecular Structure of 627-69-0 (2-HYDROXYPROPYLACETATE)
Formula: C5H10O3
Molecular Weight: 118.133
Synonyms: 1,2-Propanediol, 1-acetate;Propylene glycol 1-acetate;
Density: 1.051 g/cm3
Boiling Point: 191.006 °C at 760 mmHg
Flash Point: 77.459 °C
PSA: 60.36000
LogP: -1.10270
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Specification

The 2-Hydroxypropyl acetate, with the CAS registry number 627-69-0, is also known as 1-Acetoxy-2-hydroxypropane. This chemical's molecular formula is C5H10O3 and molecular weight is 118.13. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Hydroxypropyl acetate are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.26; (8)ACD/KOC (pH 7.4): 19.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.5; (13)Molar Refractivity: 28.482 cm3; (14)Molar Volume: 112.434 cm3; (15)Polarizability: 11.291×10-24cm3; (16)Surface Tension: 33.218 dyne/cm; (17)Density: 1.051 g/cm3; (18)Flash Point: 77.459 °C; (19)Enthalpy of Vaporization: 49.717 kJ/mol; (20)Boiling Point: 191.006 °C at 760 mmHg; (21)Vapour Pressure: 0.1420 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(O)C)C
(2) InChI: InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3
(3) InChIKey: PPPFYBPQAPISCT-UHFFFAOYSA-N