ChemicalBook--->CAS DataBase List--->811-98-3

811-98-3

811-98-3 Structure

811-98-3 Structure
IdentificationMore
[Name]

METHANOL-D4
[CAS]

811-98-3
[Synonyms]

METHANOL-12C-D4
METHANOL-D4
METHYL-12C-D3 ALCOHOL-D
METHYL ALCOHOL-D
METHYL ALCOHOL-D4
METHYL-D3 ALCOHOL-D
TETRADEUTEROMETHANOL
CD3OD
methanol-d3alcohol-d
Perdeuteromethanol
(2H4)methanol
Deuterated methanol
METHANOL-D4, 100.0 ATOM % D (1PK=10 X 0.25ML)
METHANOL-D4 , 99.8 + ATOM % D (1PK=5 X 0.5ML)
METHYL-D3 ALCOHOL-D, 99.8+ ATOM % D (CON TAINS 1% V/V TMS)
Methanol-D4
METHANOL-D4, 99.8 + ATOM % D (1PK=10 X 1ML)
METHYL-D3 ALCOHOL-D, 100.0 ATOM % D
METHYL-D3 ALCOHOL-D, 99.8+ATOM % D (SEPTUM VIALS)
METHYL-D3 ALCOHOL-D, 99.8+ ATOM % D (CON TAINS 0.03% V/V TMS)
[EINECS(EC#)]

212-378-6
[Molecular Formula]

CD4O
[MDL Number]

MFCD00044637
[Molecular Weight]

36.07
[MOL File]

811-98-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-99 °C
[Boiling point ]

65.4 °C(lit.)
[density ]

0.888 g/mL at 25 °C(lit.)
[vapor pressure ]

129 hPa (20 °C)
[refractive index ]

n20/D 1.326(lit.)
[Fp ]

52 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Slightly), Water (Slightly)
[form ]

Liquid
[color ]

Colorless
[Specific Gravity]

0.89
[Stability:]

Stable. Incompatible with moisture, acids, acid chlorides, acid anhydrides, oxidizing agents, reducing agents, alkali metals. Highly flammable.
[explosive limit]

5.5-36.5%(V)
[Water Solubility ]

Miscible with water, ethanol, ether, acetone and chloroform.
[BRN ]

1733278
[Exposure limits]

ACGIH: TWA 200 ppm; STEL 250 ppm (Skin)
OSHA: TWA 200 ppm(260 mg/m3)
NIOSH: IDLH 6000 ppm; TWA 200 ppm(260 mg/m3); STEL 250 ppm(325 mg/m3)
[InChI]

1S/CH4O/c1-2/h2H,1H3/i1D3,2D
[InChIKey]

OKKJLVBELUTLKV-MZCSYVLQSA-N
[SMILES]

[2H]OC([2H])([2H])[2H]
[CAS DataBase Reference]

811-98-3(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

Methanol-d4 (811-98-3)
[CAS Number Unlabeled]

67-56-1
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H301+H311+H331-H370
[Precautionary statements ]

P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
[Hazard Codes ]

F,T
[Risk Statements ]

R11:Highly Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1230 3/PG 2
[WGK Germany ]

1
[RTECS ]

PC1400000
[F ]

10-21
[Autoignition Temperature]

440 °C
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

28459000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
[Toxicity]

LD50 orally in Rabbit: 5628 mg/kg LD50 dermal Rabbit 17100 mg/kg
Hazard InformationBack Directory
[Synthesis]

A preparation method for providing per-deuterated methanol is provided, specifically: opening the valve of deuterium gas and carbon monoxide, and controlling the volume ratio to be 1:1 to carry out premixing (deuterium gas and carbon monoxide are respectively 2kg and 14kg, a total of 16kg). Under the pressure of 5.5MPa, at a speed of 2L/s, through the catalyst bed layer of gold oxide: platinum oxide: rhodium oxide = 1:3:2 (mass ratio) at 210~380℃, after continuous circulation reaction for 24 hours, in The per-deuterated methanol reaction solution was obtained from the separation kettle, and the obtained reaction solution was rectified to give Methanol-d4: 3.2 kg, yield 35.5%, purity 99.8%.
[Chemical Properties]

colourless liquid
[Characteristics]

Methanol-d4 has a slightly higher density than methanol because deuterium atoms are heavier than hydrogen atoms. It exhibits distinct characteristics in its nuclear magnetic resonance (NMR) spectrum, with characteristic deuterium signals arising from the nuclear spin of deuterium.
[Uses]

Methyl Alcohol-d4 is the labeled analog of methyl alcohol, a common laboratory solvent used primarily in spectroscopic techniques (UV/VIS, NMR, IR).
[Application]

Methyl Alcohol-d4 is the labeled analog of methyl alcohol, a common laboratory solvent used primarily in spectroscopic techniques (UV/VIS, NMR, IR).
[Definition]

ChEBI: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 an amphiprotic solvent.
[General Description]

Methanol-d4 (CD3OD) is a deuterated NMR solvent used for NMR-based research and analyses. It has the highest isotopic enrichment and will not interfere with the desired level of detection.
The absolute infrared absorption intensities of CD3OD have been reported between 8000 and 350cm-1.
[Synthesis]

2131312313
Spectrum DetailBack Directory
[Spectrum Detail]

Methanol-d4(811-98-3)MS
Methanol-d4(811-98-3)1HNMR
Methanol-d4(811-98-3)13CNMR
Methanol-d4(811-98-3)IR1
Methanol-d4(811-98-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methanol-d4, packaged in 0.75 ml ampules, 100.0 atom % D, for NMR(811-98-3)
[Alfa Aesar]

Methanol-d4, 99.8%(Isotopic)(811-98-3)
[Sigma Aldrich]

811-98-3(sigmaaldrich)
[TCI AMERICA]

Methanol-d4  99.8atom%D(811-98-3)
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