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4704-31-8 molecular structure
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ethenyl decanoate

ChemBase ID: 148283
Molecular Formular: C12H22O2
Molecular Mass: 198.30188
Monoisotopic Mass: 198.16197994
SMILES and InChIs

SMILES:
CCCCCCCCCC(=O)OC=C
Canonical SMILES:
CCCCCCCCCC(=O)OC=C
InChI:
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3
InChIKey:
CMDXMIHZUJPRHG-UHFFFAOYSA-N

Cite this record

CBID:148283 http://www.chembase.cn/molecule-148283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethenyl decanoate
IUPAC Traditional name
ethenyl decanoate
Synonyms
Vinyl decanoate
癸酸乙烯酯
CAS Number
4704-31-8
EC Number
225-185-7
MDL Number
MFCD00027349
PubChem SID
162242459
24865766
PubChem CID
62140

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
411795 external link Add to cart Please log in.
Data Source Data ID
PubChem 62140 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2397394  LogD (pH = 7.4) 4.2397394 
Log P 4.2397394  Molar Refractivity 57.9389 cm3
Polarizability 23.35703 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
119-120 °C/10 mmHg(lit.) expand Show data source
Flash Point
104 °C expand Show data source
219.2 °F expand Show data source
Density
0.886 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
>99% expand Show data source
Contains
monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
CH3(CH2)8CO2CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 411795 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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