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65540

Methanol

Name: Methanol
Brand: SIAL

suitable for UV/Vis spectroscopy, ≥99.8% (GC)

Synonym(s):

Methyl alcohol

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About This Item

Linear Formula:

CH₃OH

CAS Number:

67-56-1

Molecular Weight:

32.04

EC Number:

200-659-6

UNSPSC Code:

12190000

MDL number:

MFCD00004595

Beilstein/REAXYS Number:

1098229

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Properties

vapor density

1.11 (vs air)

vapor pressure

410 mmHg ( 50 °C), 97.68 mmHg ( 20 °C)

assay

≥99.8% (GC)

autoignition temp.

725 °F

expl. lim.

36 %

technique(s)

UV/Vis spectroscopy: suitable

refractive index

n20/D 1.329 (lit.)

bp

64.7 °C (lit.)

mp

−98 °C (lit.)

density

0.791 g/mL at 25 °C (lit.)

λ

1 cm path, H₂O reference

UV absorption

λ: 220 nm A_max: 0.3, λ: 230 nm A_max: 0.15, λ: 235 nm A_max: 0.1, λ: 240 nm A_max: 0.06, λ: 260 nm A_max: 0.02, λ: 290 nm A_max: 0.005, λ: 310 nm A_max: 0.003

SMILES string

InChI

1S/CH4O/c1-2/h2H,1H3

InChI key

OKKJLVBELUTLKV-UHFFFAOYSA-N

Description

Other Notes

This product has been replaced by 34860-Sigma-Aldrich | Methanol, for HPLC, ≥99.9% | CH3OH

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

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Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

Giulia Caron et al.

Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.

Michael H Abraham et al.

European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)

Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination