2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- supplier

Name
2-[(acetyloxy)methyl]-3-oxobutyl acetate
EINECS
CAS No. 5400-83-9
Density 1.113 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₅
Boiling Point 287.3 °C at 760 mmHg
Molecular Weight 202.207
Flash Point 123.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- Specification

The CAS registry number of 2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- is 5400-83-9. This chemical's molecular formula is C₉H₁₄O₅ and molecular weight is 202.2045. What's more, both its IUPAC name and systematic name are the same which is called 2-[(Acetyloxy)methyl]-3-oxobutyl acetate.

Physical properties about 2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- are: (1)ACD/LogP: 0.43; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 69.67Å²; (7)Index of Refraction: 1.434; (8)Molar Refractivity: 47.28 cm³; (9)Molar Volume: 181.5 cm³; (10)Surface Tension: 35.1 dyne/cm; (11)Density: 1.113 g/cm³; (12)Flash Point: 123.3 °C; (13)Enthalpy of Vaporization: 52.65 kJ/mol; (14)Boiling Point: 287.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0025 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(C(=O)C)COC(=O)C)C
(2) InChI: InChI=1/C9H14O5/c1-6(10)9(4-13-7(2)11)5-14-8(3)12/h9H,4-5H2,1-3H3
(3) InChIKey: SQCZVEFHJUHKOH-UHFFFAOYAO

Product Name

2-[(acetyloxy)methyl]-3-oxobutyl acetate

2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- Specification

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