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15965-99-8 molecular structure
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2-[(hexadecyloxy)methyl]oxirane

ChemBase ID: 146908
Molecular Formular: C19H38O2
Molecular Mass: 298.50382
Monoisotopic Mass: 298.28718046
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCOCC1CO1
Canonical SMILES:
CCCCCCCCCCCCCCCCOCC1OC1
InChI:
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19-18-21-19/h19H,2-18H2,1H3
InChIKey:
YZUMRMCHAJVDRT-UHFFFAOYSA-N

Cite this record

CBID:146908 http://www.chembase.cn/molecule-146908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(hexadecyloxy)methyl]oxirane
IUPAC Traditional name
2-[(hexadecyloxy)methyl]oxirane
Synonyms
2,3-Epoxypropyl hexadecyl ether
Glycidyl hexadecyl ether
缩水甘油基十六烷基醚
CAS Number
15965-99-8
EC Number
240-104-5
MDL Number
MFCD00506366
PubChem SID
162241100
24870921
PubChem CID
61823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
473642 external link Add to cart Please log in.
Data Source Data ID
PubChem 61823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.624539  LogD (pH = 7.4) 6.624539 
Log P 6.624539  Molar Refractivity 90.8428 cm3
Polarizability 36.396515 Å3 Polar Surface Area 21.76 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
28-31 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F 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 expand Show data source
Safety Statements
26-37/39 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
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C19H38O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 473642 external link
Packaging
50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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