2-Methyl Butanol - Materials / Alfa Chemistry

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Polymers

2-Methyl Butanol

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Catalog Number

ACMA00016792

Product Name

2-Methyl Butanol

Category

Polymers

Description

Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Clear colourless liquid; cooked roasted aroma with fruity or alcoholic undertones

IUPAC Name

2-methylbutan-1-ol

Molecular Weight

88.15g/mol

Molecular Formula

C5H12O;CH3CH2CH(CH3)CH₂OH;C5H12O

Canonical SMILES

CCC(C)CO

InChI

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

InChI Key

QPRQEDXDYOZYLA-UHFFFAOYSA-N

Boiling Point

128.0 °C;128 °C @ 760 MM HG;128 °C

Melting Point

FREEZING POINT: LESS THAN -70 °C

Flash Point

122 °F (50 °C) (OPEN CUP);50 °C o.c.

Density

0.816 @ 20 °C/4 °C;Relative density (water = 1): 0.8;0.815-0.820

Solubility

0.34 M;MISCIBLE WITH ALC & ETHER;Sol in acetone;Water solubility: 30,000 mg/l : 25 °C;Solubility in water, g/100ml at 25 °C: 3.0 (moderate);Very slightly soluble in water; 50% soluble in heptane, triacetin;soluble (in ethanol)

Color/Form

COLORLESS LIQ

Complexity

27.1

Covalently-Bonded Unit Count

EC Number

205-289-9;252-163-4

Exact Mass

88.088815g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0506

Log P

1.29 (LogP);log Kow= 1.29 (measured);1.3/1.4

MeSH Entry Terms

2-methylbutanol

Monoisotopic Mass

88.088815g/mol

NSC Number

8431

Other Experimental

INDEX OF REFRACTION: 1.4102 @ 20 °C/D /1-Butanol, 2-methyl (d)/;SPECIFIC OPTICAL ROTATION: +3.75 DEG @ 18 °C/D /1-Butanol, 2-methyl (l)/;IR: 31695 (Sadtler Research Laboratories IR Grating Collection) /1-Butanol, 2-methyl (d)/;NMR: 2869 (Sadtler Research Laboratories Spectral Collection) /1-Butanol, 2-methyl (d)/;MASS: 171 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /1-Butanol, 2-methyl (d)/

Refractive Index

1.409-1.412

Rotatable Bond Count

RTECS Number

EL5250000

UN Number

1105

Vapor Density

3.0 (Air=1);Relative vapor density (air = 1): 3

Vapor Pressure

3.12 mmHg;3.13 mm Hg at 25 °C;Vapor pressure, kPa at 25 °C: 0.42

XLogP3