Home > Compound List > Compound details
119581-93-0 molecular structure
click picture or here to close

1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate

ChemBase ID: 138115
Molecular Formular: C28H38O6
Molecular Mass: 470.59772
Monoisotopic Mass: 470.26683894
SMILES and InChIs

SMILES:
C=COCC1CCC(CC1)COC(=O)c1cccc(c1)C(=O)OCC1CCC(CC1)COC=C
Canonical SMILES:
C=COCC1CCC(CC1)COC(=O)c1cccc(c1)C(=O)OCC1CCC(CC1)COC=C
InChI:
InChI=1S/C28H38O6/c1-3-31-17-21-8-12-23(13-9-21)19-33-27(29)25-6-5-7-26(16-25)28(30)34-20-24-14-10-22(11-15-24)18-32-4-2/h3-7,16,21-24H,1-2,8-15,17-20H2
InChIKey:
AEIRDZABQGATLB-UHFFFAOYSA-N

Cite this record

CBID:138115 http://www.chembase.cn/molecule-138115.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate
IUPAC Traditional name
1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate
Synonyms
VEctomer® 4040 vinyl ether
Bis[[4-[(vinyloxy)methyl]cyclohexyl]methyl] isophthalate
VEctomer® 4040 乙烯醚
二[[4-[(乙烯基氧基)甲基]环己基]甲基]间苯二甲酸酯
CAS Number
119581-93-0
MDL Number
MFCD01863729
PubChem SID
162232373
24873776
PubChem CID
4416264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
514853 external link Add to cart Please log in.
Data Source Data ID
PubChem 4416264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.3609567  LogD (pH = 7.4) 6.3609567 
Log P 6.3609567  Molar Refractivity 131.286 cm3
Polarizability 51.760532 Å3 Polar Surface Area 71.06 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
134 °C expand Show data source
273.2 °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
43 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
90% expand Show data source
Linear Formula
C6H4-1,3-[CO2CH2C6H10CH2OCH=CH2]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 514853 external link
Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle