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62875-07-4

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Basic Information
CAS No.: 62875-07-4
Name: 2-methylbutane-1,2,4-triol
Article Data: 8
Molecular Structure:
Molecular Structure of 62875-07-4 (2-methylbutane-1,2,4-triol)
Formula: C5H12O3
Molecular Weight: 120.148
Synonyms: 2-methylbutane-1,2,4-triol;2-Methyl-1,2,4-butanetriol
EINECS: 263-746-8
Density: 1.159 g/cm3
Boiling Point: 286.7 °C at 760 mmHg
Flash Point: 145.5 °C
PSA: 60.69000
LogP: -0.88790
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Specification

The 1,2,4-Butanetriol,2-methyl- is an organic compound with the formula C5H12O3. The IUPAC name of this chemical is 2-Methylbutane-1,2,4-triol. The CAS registry number of this chemical is 62875-07-4. Besides, its molecular weight is 120.14698.

Physical properties about 1,2,4-Butanetriol,2-methyl- are: (1)ACD/LogP: -1.74; (2)ACD/LogD (pH 5.5): -1.74; (3)ACD/LogD (pH 7.4): -1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.71; (7)ACD/KOC (pH 7.4): 2.71; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.486; (13)Molar Refractivity: 29.78 cm3; (14)Molar Volume: 103.6 cm3; (15)Polarizability: 11.8×10-24 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.159 g/cm3; (18)Flash Point: 145.5 °C; (19)Enthalpy of Vaporization: 61.03 kJ/mol; (20)Boiling Point: 286.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000292 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4-Epoxy-3-methyl-1-butanol. This reaction will need reagent H2O, catalyst H2SO4.

Uses of 1,2,4-Butanetriol,2-methyl-: it can be used to produce (2,2,4-Trimethyl-[1,3]dioxan-4-yl)-methanol at temperature of -15 °C. It will need reagent p-toluenesulphonic acid with reaction time of 20 min. The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H12O3/c1-5(8,4-7)2-3-6/h6-8H,2-4H2,1H3
(2)InChIKey: XYHGSPUTABMVOC-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C5H12O3/c1-5(8,4-7)2-3-6/h6-8H,2-4H2,1H3
(4)Std. InChIKey: XYHGSPUTABMVOC-UHFFFAOYSA-N