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922-69-0 molecular structure
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1,1-dimethoxyethene

ChemBase ID: 135880
Molecular Formular: C4H8O2
Molecular Mass: 88.10512
Monoisotopic Mass: 88.0524295
SMILES and InChIs

SMILES:
COC(=C)OC
Canonical SMILES:
COC(=C)OC
InChI:
InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3
InChIKey:
FJTRNRFAIZEJJJ-UHFFFAOYSA-N

Cite this record

CBID:135880 http://www.chembase.cn/molecule-135880.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-dimethoxyethene
IUPAC Traditional name
1,1-dimethoxyethene
Synonyms
1,1-Dimethoxyethene
Ketene dimethyl acetal
乙烯酮二甲基缩醛
1,1-二甲氧基乙烯
CAS Number
922-69-0
MDL Number
MFCD00060982
PubChem SID
24866039
162230151
PubChem CID
136706

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
41585 external link Add to cart Please log in.
Data Source Data ID
PubChem 136706 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0201328  LogD (pH = 7.4) 1.0201328 
Log P 1.0201328  Molar Refractivity 32.7344 cm3
Polarizability 9.250608 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
89 °C expand Show data source
Flash Point
42.8 °F expand Show data source
6 °C expand Show data source
Density
0.93 g/mL at 20 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 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
11-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
≥95.5% (GC) expand Show data source
Grade
produced by Wacker expand Show data source
Linear Formula
CH2:C(OCH3)2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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