Methan(2H)ol

CH₃DOCAS 1455-13-633.05 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: CH₃DO
Molar mass: 33.05 g/mol
Exact mass: 33.0325 Da
Boiling point: 64–65 °C (at 740 Torr)
logP: -0.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled91.3% of notifiers
H370 Causes damage to organs100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P308+P316, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1455-13-6

SMILES

[2H]OC

InChIKey

OKKJLVBELUTLKV-VMNATFBRSA-N

InChI

InChI=1S/CH4O/c1-2/h2H,1H3/i2D

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Methanol-D
Methyl alcohol-d
Methanol (CH3OD)
Methanol-O-d
Methanol-hydroxy-d
O-Deuteromethanol
Methyl deuteroxide

Work with Methan(2H)ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methanol67-56-1Unlabelled Deuterated methanol811-98-3Other labelling Sodium methoxide124-41-4Salt, unlabelled Potassium methoxide865-33-8Salt, unlabelled Lithium methoxide865-34-9Salt, unlabelled Methanol-boron trifluoride complex (2:1)2802-68-8Salt, unlabelled Magnesium methoxide109-88-6Salt, unlabelled Calcium methoxide2556-53-8Salt, unlabelled Copper(II) methoxide76890-98-7Salt, unlabelled

Elsewhere

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