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2156-97-0 molecular structure
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dodecyl prop-2-enoate

ChemBase ID: 110341
Molecular Formular: C15H28O2
Molecular Mass: 240.38162
Monoisotopic Mass: 240.20893014
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOC(=O)C=C
Canonical SMILES:
CCCCCCCCCCCCOC(=O)C=C
InChI:
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3
InChIKey:
PBOSTUDLECTMNL-UHFFFAOYSA-N

Cite this record

CBID:110341 http://www.chembase.cn/molecule-110341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyl prop-2-enoate
IUPAC Traditional name
dodecyl prop-2-enoate
Synonyms
Dodecyl acrylate
Lauryl acrylate
Lauryl acrylate
Dodecyl acrylate
n-LAURYL ACRYLATE
丙烯酸十二烷基酯
丙烯酸月桂酯
丙烯酸月桂酯
丙烯酸十二烷基酯
CAS Number
2156-97-0
EC Number
218-463-4
MDL Number
MFCD00042871
Beilstein Number
1779069
PubChem SID
162095450
24868332
PubChem CID
75084

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75084 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.792623  LogD (pH = 7.4) 5.792623 
Log P 5.792623  Molar Refractivity 72.7421 cm3
Polarizability 28.89051 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)
Boiling Point
~120 °C/1 mmHg(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
0.87 g/mL at 20 °C expand Show data source
0.884 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.445(lit.) 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
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38-51/53 expand Show data source
Safety Statements
26-28-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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
~55% (GC) expand Show data source
90% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
tetradecyl acrylate, residual expand Show data source
Contains
60-100 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
CH2=CHCOOC12H25 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214605 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 447315 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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