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209072-71-9 molecular structure
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4-(ethenyloxy)butyl octadecanoate

ChemBase ID: 138016
Molecular Formular: C24H46O3
Molecular Mass: 382.62024
Monoisotopic Mass: 382.34469533
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCCOC=C
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCCOC=C
InChI:
InChI=1S/C24H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25)27-23-20-19-22-26-4-2/h4H,2-3,5-23H2,1H3
InChIKey:
BMMJLSUJRGRSFN-UHFFFAOYSA-N

Cite this record

CBID:138016 http://www.chembase.cn/molecule-138016.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(ethenyloxy)butyl octadecanoate
IUPAC Traditional name
4-(ethenyloxy)butyl octadecanoate
Synonyms
VEctomer® 3080
4-(Vinyloxy)butyl stearate
4-(乙烯氧基)硬脂酸丁酯
CAS Number
209072-71-9
MDL Number
MFCD01863728
PubChem SID
24873775
162232275
PubChem CID
4682240

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
514845 external link Add to cart Please log in.
Data Source Data ID
PubChem 4682240 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.326635  LogD (pH = 7.4) 8.326635 
Log P 8.326635  Molar Refractivity 115.3004 cm3
Polarizability 46.16619 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds 23  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
40-44 °C(lit.) expand Show data source
Flash Point
143 °C expand Show data source
289.4 °F 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, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
CH3(CH2)16CO2(CH2)4OCH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 514845 external link
Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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