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38401-41-1

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Basic Information
CAS No.: 38401-41-1
Name: Methyl cyclobutanemethanol, α-methyl-
Molecular Structure:
Molecular Structure of 38401-41-1 (Methyl cyclobutanemethanol, α-methyl-)
Formula: C6H12O
Molecular Weight: 100.161
Density: 0.962 g/cm3
Boiling Point: 144.5 °C at 760 mmHg
Flash Point: 57.9 °C
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Specification

The CAS registry number of Methyl cyclobutanemethanol, α-methyl- is 38401-41-1. This chemical's molecular formula is C6H12O and molecular weight is 100.1589. What's more, its IUPAC name and systematic name are the same which is called 1-Cyclobutylethanol.

Physical properties about Methyl cyclobutanemethanol, α-methyl-: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 93.43; (8)ACD/KOC (pH 7.4): 93.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 29.21 cm3; (15)Molar Volume: 104 cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 0.962 g/cm3; (18)Flash Point: 57.9 °C; (19)Enthalpy of Vaporization: 44.45 kJ/mol; (20)Boiling Point: 144.5 °C at 760 mmHg; (21)Vapour Pressure: 2.02 mmHg at 25 °C.

Preparation of Methyl cyclobutanemethanol, α-methyl-: It can be obtained by 1-Methylcyclobutanecarboxylic acid. The reaction occurs with reagent LiAlH4 and solvent Diethyl ether. The yield is 86%.

Methyl cyclobutanemethanol, α-methyl- can be obtained by 1-Methylcyclobutanecarboxylic acid

Uses of Methyl cyclobutanemethanol, α-methyl-: it is used to produce 1-Methylcyclobutylmethyl bromide. The reaction occurs with reagents PPh3 and Br2 and solvent Dimethylformamide heating for 30 minutes. The yield is 54%.

Methyl cyclobutanemethanol, α-methyl- is used to produce1-Methylcyclobutylmethyl bromide

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)C1CCC1
(2) InChI: InChI=1/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
(3) InChIKey: PFGPCAYJUYSJJS-UHFFFAOYAJ