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2495-25-2 molecular structure
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tridecyl 2-methylprop-2-enoate

ChemBase ID: 137224
Molecular Formular: C17H32O2
Molecular Mass: 268.43478
Monoisotopic Mass: 268.24023026
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCOC(=O)C(=C)C
Canonical SMILES:
CCCCCCCCCCCCCOC(=O)C(=C)C
InChI:
InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3
InChIKey:
KEROTHRUZYBWCY-UHFFFAOYSA-N

Cite this record

CBID:137224 http://www.chembase.cn/molecule-137224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tridecyl 2-methylprop-2-enoate
IUPAC Traditional name
tridecyl 2-methylprop-2-enoate
Synonyms
Tridecyl methacrylate
甲基丙烯酸十三烷酯
CAS Number
2495-25-2
EC Number
219-671-8
MDL Number
MFCD00059220
PubChem SID
162231489
24865561
PubChem CID
17234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
408344 external link Add to cart Please log in.
Data Source Data ID
PubChem 17234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.6327424  LogD (pH = 7.4) 6.6327424 
Log P 6.6327424  Molar Refractivity 81.7002 cm3
Polarizability 32.580856 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.88 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.45(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38-43 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335 expand Show data source
GHS Precautionary statements
P261-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
Contains
600 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
H2C=C(CH3)CO2R, R = C12-C14 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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