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142-90-5 molecular structure
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dodecyl 2-methylprop-2-enoate

ChemBase ID: 107345
Molecular Formular: C16H30O2
Molecular Mass: 254.4082
Monoisotopic Mass: 254.2245802
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOC(=O)C(=C)C
Canonical SMILES:
CCCCCCCCCCCCOC(=O)C(=C)C
InChI:
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3
InChIKey:
GMSCBRSQMRDRCD-UHFFFAOYSA-N

Cite this record

CBID:107345 http://www.chembase.cn/molecule-107345.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyl 2-methylprop-2-enoate
IUPAC Traditional name
dodecyl methacrylate
Synonyms
Dodecyl methacrylate
Lauryl methacrylate
DODECYL METHACRYLATE
甲基丙烯酸十二烷基酯
甲基丙烯酸月桂酯
CAS Number
142-90-5
EC Number
205-570-6
MDL Number
MFCD00008972
Beilstein Number
1708160
PubChem SID
162093919
24857542
PubChem CID
8906

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8906 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.1881733  LogD (pH = 7.4) 6.1881733 
Log P 6.1881733  Molar Refractivity 77.0992 cm3
Polarizability 30.735579 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-7 °C(lit.) expand Show data source
-7°C expand Show data source
Boiling Point
142 °C/4 mmHg(lit.) expand Show data source
Flash Point
107 °C expand Show data source
224.6 °F expand Show data source
Density
0.868 g/ml expand Show data source
0.868 g/mL at 25 °C(lit.) expand Show data source
0.873 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.445 expand Show data source
n20/D 1.445(lit.) expand Show data source
RTECS
OZ4300000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38-50/53 expand Show data source
R:36/37/38-50/53 expand Show data source
Safety Statements
26-28-60-61 expand Show data source
S:26-28-60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335-H410 expand Show data source
GHS Precautionary statements
P261-P273-P305 + P351 + P338-P501 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Purity
≥95.0% (GC) expand Show data source
96% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
500 ppm MEHQ as inhibitor expand Show data source
hydroquinone monomethyl ether as stabilizer expand Show data source
Linear Formula
CH2=C(CH3)COO(CH2)11CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203388 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 291811 external link
Packaging
100, 500 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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