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5371-49-3

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Basic Information
CAS No.: 5371-49-3
Name: ACETYLOXYACETALDEHYDE
Article Data: 6
Molecular Structure:
Molecular Structure of 5371-49-3 (ACETYLOXYACETALDEHYDE)
Formula: C4H6O3
Molecular Weight: 102.09
Synonyms: Acetyloxyacetaldehyde;
Density: 1.071 g/cm3
Melting Point: 208 °C
Boiling Point: 131.053 °C at 760 mmHg
Flash Point: 38.946 °C
PSA: 43.37000
LogP: -0.25160
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    The Acetaldehyde,2-(acetyloxy)-, with the CAS registry number 5371-49-3, is also known as Acetyloxyacetaldehyde. This chemical's molecular formula is C4H6O3 and molecular weight is 102.0886. What's more, its systematic name is called 2-Oxoe

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Specification

The Acetaldehyde,2-(acetyloxy)-, with the CAS registry number 5371-49-3, is also known as Acetyloxyacetaldehyde. This chemical's molecular formula is C4H6O3 and molecular weight is 102.0886. What's more, its systematic name is called 2-Oxoethyl acetate.

Physical properties about this chemical are: (1)ACD/LogP: -0.48; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22; (8)ACD/KOC (pH 7.4): 22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.389; (14)Molar Refractivity: 22.542 cm3; (15)Molar Volume: 95.363 cm3; (16)Surface Tension: 30.937 dyne/cm; (17)Density: 1.071 g/cm3; (18)Flash Point: 38.946 °C; (19)Enthalpy of Vaporization: 36.866 kJ/mol; (20)Boiling Point: 131.053 °C at 760 mmHg; (21)Vapour Pressure: 9.442 mmHg at 25 °C.

Preparation of Acetaldehyde,2-(acetyloxy)-: this chemical can be prepared by Acetoxyacetaldehyd-dimethylacetal.



This reaction needs reagent HCO2H at temperature of 85 °C. The reaction time is 2 hours. The yield is 59%.

Uses of Acetaldehyde,2-(acetyloxy)-: it is used to produce other chemicals. For example, it is used to produce 3,3,4-Trimethylpent-4-ene-1,2-diol. The yield is 58%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCOC(=O)C
(2) InChI: InChI=1/C4H6O3/c1-4(6)7-3-2-5/h2H,3H2,1H3
(3) InChIKey: GUPGZURVZDIQPM-UHFFFAOYAK