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101-43-9 molecular structure
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cyclohexyl 2-methylprop-2-enoate

ChemBase ID: 131606
Molecular Formular: C10H16O2
Molecular Mass: 168.23284
Monoisotopic Mass: 168.11502975
SMILES and InChIs

SMILES:
CC(=C)C(=O)OC1CCCCC1
Canonical SMILES:
O=C(C(=C)C)OC1CCCCC1
InChI:
InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKey:
OIWOHHBRDFKZNC-UHFFFAOYSA-N

Cite this record

CBID:131606 http://www.chembase.cn/molecule-131606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclohexyl 2-methylprop-2-enoate
IUPAC Traditional name
cyclohexyl 2-methylprop-2-enoate
Synonyms
Cyclohexyl methacrylate
Methacrylic acid cyclohexyl ester
甲基丙烯酸环己酯
环己基甲基丙烯酸酯
甲基丙烯酸环己酯
CAS Number
101-43-9
EC Number
202-943-5
205-769-8
MDL Number
MFCD00014292
Beilstein Number
2045235
PubChem SID
24865610
162225884
PubChem CID
7561

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7561 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1069958  LogD (pH = 7.4) 3.1069958 
Log P 3.1069958  Molar Refractivity 47.4318 cm3
Polarizability 18.940886 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
68-70 °C/4 mmHg(lit.) expand Show data source
72-73°C/5mm expand Show data source
Flash Point
181.4 °F expand Show data source
82°C(179°F) expand Show data source
83 °C expand Show data source
Density
0.964 g/mL at 20 °C expand Show data source
0.964 g/mL at 25 °C(lit.) expand Show data source
0.970 expand Show data source
Refractive Index
1.4577 expand Show data source
n20/D 1.458 expand Show data source
n20/D 1.458(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
22-36-43 expand Show data source
36/37/38 expand Show data source
Safety Statements
24/25-26-37/39-46 expand Show data source
26-28 expand Show data source
26-37 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
H302-H317-H319 expand Show data source
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
P280-P305 + P351 + P338 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
Eyeshields, 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
≥97% expand Show data source
≥97.0% (GC) expand Show data source
97%, stab. with ca 50ppm 4-methoxyphenol expand Show data source
Grade
purum expand Show data source
Contains
~0.006% hydroquinone monomethyl ether as stabilizer expand Show data source
~60 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
0.006% hydroquinone monomethyl ether as inhibitor expand Show data source
Linear Formula
CH2=C(CH3)COOC6H11 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 408964 external link
Packaging
100, 250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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