2,4-Pentanediol,2,4-diacetate supplier

Name
2,4-DIACETOXYPENTANE
EINECS
CAS No. 7371-86-0
Density 1.018 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₄
Boiling Point 236.7 °C at 760 mmHg
Molecular Weight 188.224
Flash Point 108 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetyloxypentan-2-yl acetate;2,4-Diacetoxypentane;
PSA 52.60000
LogP 1.27970

2,4-Pentanediol,2,4-diacetate Specification

The 2,4-Pentanediol,2,4-diacetate, with the CAS registry number 7371-86-0, is also known as 2,4-Diacetoxypentane. This chemical's molecular formula is C₉H₁₆O₄ and molecular weight is 188.22. What's more, its IUPAC name is 4-Acetyloxypentan-2-yl acetate.

Physical properties of 2,4-Pentanediol,2,4-diacetate are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.74; (6)ACD/BCF (pH 7.4): 3.74; (7)ACD/KOC (pH 5.5): 89.54; (8)ACD/KOC (pH 7.4): 89.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 47.21 cm³; (15)Molar Volume: 184.8 cm³; (16)Polarizability: 18.71×10^-24 cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 1.018 g/cm³; (19)Flash Point: 108 °C; (20)Enthalpy of Vaporization: 47.35 kJ/mol; (21)Boiling Point: 236.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0468 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC(C)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C9H16O4/c1-6(12-8(3)10)5-7(2)13-9(4)11/h6-7H,5H2,1-4H3
(3)InChIKey: CUSIRZGMYUQIBF-UHFFFAOYSA-N

Product Name

2,4-DIACETOXYPENTANE

2,4-Pentanediol,2,4-diacetate Specification

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