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28563-35-1 molecular structure
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(2H2)methanol

ChemBase ID: 151073
Molecular Formular: CH4O
Molecular Mass: 32.04186
Monoisotopic Mass: 32.02621475
SMILES and InChIs

SMILES:
CO
Canonical SMILES:
CO
InChI:
InChI=1S/CH4O/c1-2/h2H,1H3
InChIKey:
OKKJLVBELUTLKV-UHFFFAOYSA-N

Cite this record

CBID:151073 http://www.chembase.cn/molecule-151073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H2)methanol
IUPAC Traditional name
(2H2)methanol
Synonyms
Methanol-d2,OH
Methanol-d2
Methyl-d2 alcohol
Methan-d2-ol
木精-d2
甲基-d2 醇
甲醇-d2,OH
甲醇-d2
CAS Number
28563-35-1
MDL Number
MFCD00144753
PubChem SID
24872222
162245231
PubChem CID
12812205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
486884 external link Add to cart Please log in.
Data Source Data ID
PubChem 12812205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.775593  H Acceptors
H Donor LogD (pH = 5.5) -0.51857704 
LogD (pH = 7.4) -0.5185771  Log P -0.51857704 
Molar Refractivity 8.2613 cm3 Polarizability 3.208889 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
65.4 °C(lit.) expand Show data source
Flash Point
11 °C expand Show data source
51.8 °F expand Show data source
Density
0.840 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.326(lit.) expand Show data source
Mass Shift
M+2 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1230 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H311-H315-H319-H331-H370 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
RID/ADR
UN 1230 3/PG 2 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 34.02 by atom % calculation expand Show data source
Linear Formula
CD2HOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 486884 external link
Packaging
5 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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