2-Pentanol,1,1,1-trichloro-, 2-acetate supplier

Name
1-(TRICHLOROMETHYL)BUTYL ACETATE
EINECS
CAS No. 80982-62-3
Article Data4
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point 84 °C
Formula C₇H₁₁Cl₃O₂
Boiling Point 280.9 °C at 760 mmHg
Molecular Weight 233.522
Flash Point 113.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pentanol,1,1,1-trichloro-, acetate (9CI);NSC 158357;1-(Trichloromethyl)butyl acetate;1,1,1-Trichloropentan-2-yl acetate;
PSA 26.30000
LogP 3.08840

2-Pentanol,1,1,1-trichloro-, 2-acetate Specification

The 2-Pentanol,1,1,1-trichloro-, 2-acetate, with the CAS registry number 80982-62-3, is also known as 1-(Trichloromethyl)butyl acetate. This chemical's molecular formula is C₇H₁₁Cl₃O₂ and molecular weight is 233.52. What's more, its systematic name is 1,1,1-Trichloropentan-2-yl acetate.

Physical properties of 2-Pentanol,1,1,1-trichloro-, 2-acetate are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 50.72 cm³; (9)Molar Volume: 182.1 cm³; (10)Polarizability: 20.1×10^-24cm³; (11)Surface Tension: 35 dyne/cm; (12)Density: 1.282 g/cm³; (13)Flash Point: 113.3 °C; (14)Enthalpy of Vaporization: 51.97 kJ/mol; (15)Boiling Point: 280.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00367 mmHg at 25°C.

Preparation: this chemical can be prepared by trichloromethane and 1,1-diacetoxy-butane at the ambient temperature. This reaction will need reagent aq. NaOH with the reaction time of 1 hour. This reaction will also need catalyst benzyltriethyammonium chloride. The yield is about 57%.

2-Pentanol,1,1,1-trichloro-, 2-acetate can be prepared by trichloromethane and 1,1-diacetoxy-butane at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(OC(=O)C)CCC
(2)InChI: InChI=1S/C7H11Cl3O2/c1-3-4-6(7(8,9)10)12-5(2)11/h6H,3-4H2,1-2H3
(3)InChIKey: GDKFQJCNNANHST-UHFFFAOYSA-N

Product Name

1-(TRICHLOROMETHYL)BUTYL ACETATE

2-Pentanol,1,1,1-trichloro-, 2-acetate Specification

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