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Methanol-D4 chemical structure, CH4O, CAS 811-98-3
2D chemical structure

Key facts

What buyers check first

Physical form
Liquid
Melting point
11 °C
Boiling point
65.4 °C
Density
0.888 @25 °C
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Methanol-D4?

Plain description, key identifiers and synonyms

Methanol-d4 is a deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy. It has a role as a NMR solvent and an amphiprotic solvent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trideuterio(deuteriooxy)methane
CAS number
811-98-3 CAS number cross-checked
EC number
212-378-6
Molecular formula
CH4O
UNII
WPX8YG7BL7
MDL number
MFCD00044637, MFCD08460912
InChIKey
OKKJLVBELUTLKV-MZCSYVLQSA-N
InChI
InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D
Canonical SMILES
CO
Isomeric SMILES
[2H]C([2H])([2H])O[2H]

Synonyms

  • Methan-d3-ol-d
  • Methyl Alcohol-d4
  • (2H4)Methanol
  • Methyl-d3 alcohol d
  • Perdeuteromethanol
  • ((2)H4)methanol
  • trideuterio deuteriooxy methane
  • ((2)H3)methan((2)H)ol
  • Tetradeuteromethanol
  • trideuterio(deuteriooxy)methane
  • Methanol D4
  • Methyl Alcohol-d4 (Methanol-d4)
  • methyl-d3 alcohol-d
  • Methanol D4 >99.8%(+0.03% TMS)
  • Methanol-d4, 99.8 atom % D
  • Methanol-d4, >=99.8 atom % D
  • Deuterated methanol
  • Methanol-12C,d4
  • Methanol-d4, "100%", 99.96 atom % D
  • Methyl-d3 alcohol-d, cont. 0.03 v/v% TMS
  • Methanol (d4)
  • Methanol-d4, >=99.8 atom % D, contains 0.03 % (v/v) TMS
  • Methanol-d?
  • Methanol-d4</sub
  • tetradeuteriomethanol
Show all 37 synonyms
  • Methanol-12C,d?
  • Methan-d3</sub-ol-d
  • Methyl-d3</sub alcohol-d
  • Perdeuterated methyl alcohol
  • Methanol D4 >99.8%
  • Methanol-D4 >99.5%
  • Methanol D4 >99.95%
  • Methanol-d4, 99 atom % D
  • TMIJ-0401
  • Methanol-D4 >99.8 Atom % D
  • (~2~H_3_)Methan(~2~H)ol
  • 4% Methanol + 96% methanol-d4

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.
Melting point
11 °Cexp.
Boiling point
65.4 °Cexp.
Density
0.888 @25 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
36.07 g/molcalc.
Exact mass
36.0513 Dacalc.
LogP (octanol/water)
-0.39calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
2calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H370Causes damage to organs.
Precautionary statements (27)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Methanol-D4 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Methanol-D4 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Bronsted acid
  • Bronsted base
  • NMR solvent
  • acceptor
  • acid
  • amphiprotic solvent
  • base
  • donor
  • polar solvent
  • protic solvent
  • protophilic solvent
  • solvent

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methanol-D4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Methanol-D4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methanol-D4, based on the data on this page

What is Methanol-D4?

Methanol-d4 is a deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy. It has a role as a NMR solvent and an amphiprotic solvent.

What is the CAS number of Methanol-D4?

The CAS registry number of Methanol-D4 is 811-98-3.

What is the molecular formula and weight of Methanol-D4?

The molecular formula of Methanol-D4 is CH4O and its molar mass is 36.07 g/mol.

What is Methanol-D4 used for?

Known uses and roles of Methanol-D4 include solvents in paints and coatings, solvents in adhesives and sealants, isotope-labelled compounds in research and laboratory, bronsted acid, bronsted base and 10 more.

Is Methanol-D4 hazardous?

Methanol-D4 carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, toxic if swallowed, toxic in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methanol-D4?

Methanol-D4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methanol-D4?

CompoundList lists 15 suppliers of Methanol-D4 in China, Germany, India, United States and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Methanol-D4 in India?

2 suppliers in India list Methanol-D4 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Methanol-D4?

Suppliers quote Methanol-D4 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methanol-D4

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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