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7390-81-0 molecular structure
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2-hexadecyloxirane

ChemBase ID: 302057
Molecular Formular: C18H36O
Molecular Mass: 268.47784
Monoisotopic Mass: 268.27661577
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCC1CO1
Canonical SMILES:
CCCCCCCCCCCCCCCCC1CO1
InChI:
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3
InChIKey:
QBJWYMFTMJFGOL-UHFFFAOYSA-N

Cite this record

CBID:302057 http://www.chembase.cn/molecule-302057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hexadecyloxirane
IUPAC Traditional name
2-hexadecyloxirane
Synonyms
1-Octadecene oxide
1,2-Epoxyoctadecane
1,2-环氧十八烷
CAS Number
7390-81-0
EC Number
230-977-0
MDL Number
MFCD00005152
Beilstein Number
115434

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.116083  LogD (pH = 7.4) 7.116083 
Log P 7.116083  Molar Refractivity 84.4003 cm3
Polarizability 33.889606 Å3 Polar Surface Area 12.53 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30-35°C expand Show data source
Boiling Point
146-148°C/1mm expand Show data source
Flash Point
176°C(348°F) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
tech. 90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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