Methan(2H)ol

HCID 123113CAS 1455-13-6

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Basic information

Standard SMILES: [2H]OC
InChIKey: OKKJLVBELUTLKV-VMNATFBRSA-N
Molecular formula: CH4O
Average molar mass: 33.048 g/mol
Monoisotopic mass: 33.03249149

Overview

Methanol-d1 is a volatile organic compound, a primary alcohol, an alkyl alcohol, a one-carbon compound and a deuterated compound. It has a role as a NMR solvent.

Names & identifiers

Preferred name: Methan(2H)ol
IUPAC: deuteriooxymethane

Names & synonyms

Methanol-dMethan(2H)olEINECS 215-933-0RefChem:811312215-933-01455-13-6deuteriooxymethaneMethanol-ODMethanol-O-d1mono-DeuteromethanolMethanol-d (6CI,8CI,9CI)CH3OD

Show more names

MFCD00044213Methan(ol-d)CH3DOmethanol DMethan-d-olmethyl alcohol-d1MeODMethyl alcohol-OD

Database identifiers

CAS: 1455-13-6、4206-31-9
PubChem CID: 123113
DTXSID: DTXSID40932619
ChEBI: CHEBI:193133
EC Number: 215-933-0
Nikkaji: J151.224B

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 2
Formal charge: 0
Complexity: 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.