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51673-84-8 molecular structure
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2,2-dimethoxyacetaldehyde

ChemBase ID: 90378
Molecular Formular: C4H8O3
Molecular Mass: 104.10452
Monoisotopic Mass: 104.04734412
SMILES and InChIs

SMILES:
O=CC(OC)OC
Canonical SMILES:
COC(C=O)OC
InChI:
InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
InChIKey:
OGFKTAMJLKHRAZ-UHFFFAOYSA-N

Cite this record

CBID:90378 http://www.chembase.cn/molecule-90378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethoxyacetaldehyde
IUPAC Traditional name
2,2-dimethoxyacetaldehyde
Synonyms
Dimethoxyacetaldehyde
Glyoxal 1-(dimethyl acetal)
Glyoxal dimethyl acetal
2,2-Dimethoxyacetaldehyde solution
2,2-Dimethoxyacetaldehyde solution
Glyoxal 1,1-dimethyl acetal solution
2,2-dimethoxyacetaldehyde
Dimethoxyacetaldehyde
Dimethoxyethanal
Glyoxal dimethyl acetal
乙二醛 1-(二甲基乙缩醛)
乙二醛二甲基缩醛
2,2-二甲氧基乙醛 溶液
2,2-二甲氧基乙醛 溶液
乙二醛-1,1-二甲基乙缩醛 溶液
乙二醛二甲基缩醛
CAS Number
51673-84-8
EC Number
421-890-0
000-000-0
MDL Number
MFCD00134410
Beilstein Number
1850744
PubChem SID
24885903
162077191
24871595
PubChem CID
162650

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.877563  H Acceptors
H Donor LogD (pH = 5.5) -0.2016967 
LogD (pH = 7.4) -0.2016967  Log P -0.2016967 
Molar Refractivity 24.1213 cm3 Polarizability 9.64128 Å3
Polar Surface Area 35.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
100 °C expand Show data source
100-102/759°C expand Show data source
100-102°C expand Show data source
Flash Point
102°C(216°F) expand Show data source
168.8 °F expand Show data source
76 °C expand Show data source
77°C expand Show data source
Density
1.15 expand Show data source
1.15 g/mL at 25 °C expand Show data source
1.150 expand Show data source
Refractive Index
1.414 expand Show data source
1.4140 expand Show data source
n20/D 1.412 expand Show data source
n20/D 1.414 expand Show data source
Hydrophobicity(logP)
-0.947 expand Show data source
Storage Warning
Irritant/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
24-37 expand Show data source
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P363-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
60% aq. soln. expand Show data source
95% expand Show data source
96% expand Show data source
Concentration
~60% in H2O expand Show data source
60 wt. % in H2O expand Show data source
Grade
technical expand Show data source
Linear Formula
(CH3O)2CHCHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 479047 external link
Packaging
100 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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