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5820-22-4 molecular structure
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[(2-methylprop-2-en-1-yl)oxy]benzene

ChemBase ID: 137939
Molecular Formular: C10H12O
Molecular Mass: 148.20168
Monoisotopic Mass: 148.088815
SMILES and InChIs

SMILES:
CC(=C)COc1ccccc1
Canonical SMILES:
CC(=C)COc1ccccc1
InChI:
InChI=1S/C10H12O/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKey:
LECDNXOCIPRJNJ-UHFFFAOYSA-N

Cite this record

CBID:137939 http://www.chembase.cn/molecule-137939.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methylprop-2-en-1-yl)oxy]benzene
IUPAC Traditional name
[(2-methylprop-2-en-1-yl)oxy]benzene
Synonyms
Methallyl phenyl ether
2-Methyl-2-propenyl phenyl ether
2-Methyl-2-propenyl phenyl ether
Methallyl phenyl ether
甲烯丙基苯醚
CAS Number
5820-22-4
EC Number
227-393-3
MDL Number
MFCD00008597
Beilstein Number
1933868
PubChem SID
162232199
PubChem CID
79893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 79893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7901857  LogD (pH = 7.4) 2.7901857 
Log P 2.7901857  Molar Refractivity 45.9659 cm3
Polarizability 18.164965 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
175-176 °C(lit.) expand Show data source
204°C expand Show data source
Flash Point
150.8 °F expand Show data source
66 °C expand Show data source
77°C(171°F) expand Show data source
Density
0.964 expand Show data source
0.964 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5150 expand Show data source
n20/D 1.514(lit.) expand Show data source
Vapor Density
5.1 (vs air) expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38-42/43 expand Show data source
42/43 expand Show data source
Safety Statements
24-37-45 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335 expand Show data source
H334-H317-H227 expand Show data source
GHS Precautionary statements
P260-P280G-P262 expand Show data source
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
90% expand Show data source
96% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
H2C=C(CH3)CH2OC6H5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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