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53818-14-7

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Basic Information
CAS No.: 53818-14-7
Name: 1,2-DIFORMYLOXYPROPANE
Molecular Structure:
Molecular Structure of 53818-14-7 (1,2-DIFORMYLOXYPROPANE)
Formula: C5H8O4
Molecular Weight: 132.11
Synonyms: 1,2-Propanediol,diformate (9CI);Propylene glycol diformate;Propylene glycol formate;
Density: 1.111 g/cm3
Boiling Point: 184.6 °C at 760 mmHg
Flash Point: 88.4 °C
PSA: 52.60000
LogP: 0.99270
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Specification

The 1,2-Propanediol,1,2-diformate, with the CAS registry number 53818-14-7, is also known as 1,2-Propanediol diformate. This chemical's molecular formula is C5H8O4 and molecular weight is 132.042259. Its IUPAC name is called 2-formyloxypropyl formate.

Physical properties of 1,2-Propanediol,1,2-diformate: (1)ACD/LogP: -0.03; (2)ACD/LogD (pH 5.5): -0.03; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.05; (7)ACD/KOC (pH 7.4): 23.05; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.403; (11)Molar Refractivity: 29.03 cm3; (12)Molar Volume: 118.8 cm3; (13)Surface Tension: 33.3 dyne/cm; (14)Density: 1.111 g/cm3; (15)Flash Point: 88.4 °C; (16)Enthalpy of Vaporization: 42.08 kJ/mol; (17)Boiling Point: 184.6 °C at 760 mmHg; (18)Vapour Pressure: 0.727 mmHg at 25°C.

Preparation: this chemical can be prepared by formic acid and propane-1,2-diol. This reaction will need reagent diisopropyl ether. The reaction time is 2 hours. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(COC=O)OC=O
(2)InChI: InChI=1S/C5H8O4/c1-5(9-4-7)2-8-3-6/h3-5H,2H2,1H3
(3)InChIKey: DUYOHDPGXMPOKD-UHFFFAOYSA-N