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4223-11-4 molecular structure
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(2-butoxyethoxy)ethene

ChemBase ID: 138805
Molecular Formular: C8H16O2
Molecular Mass: 144.21144
Monoisotopic Mass: 144.11502975
SMILES and InChIs

SMILES:
CCCCOCCOC=C
Canonical SMILES:
CCCCOCCOC=C
InChI:
InChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3
InChIKey:
UNMYKPSSIFZORM-UHFFFAOYSA-N

Cite this record

CBID:138805 http://www.chembase.cn/molecule-138805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-butoxyethoxy)ethene
IUPAC Traditional name
1-butoxy-2-vinyloxy ethane
Synonyms
Ethylene glycol butyl vinyl ether
乙二醇丁基乙烯基醚
CAS Number
4223-11-4
EC Number
224-172-3
MDL Number
MFCD00192148
PubChem SID
24865688
162233056
PubChem CID
20207

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
410039 external link Add to cart Please log in.
Data Source Data ID
PubChem 20207 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9061474  LogD (pH = 7.4) 1.9061474 
Log P 1.9061474  Molar Refractivity 41.6218 cm3
Polarizability 16.60571 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
70-72 °C/20 mmHg(lit.) expand Show data source
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
Density
0.866 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.422(lit.) expand Show data source
RTECS
KH7175000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3271 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-41 expand Show data source
Safety Statements
16-26-36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3271 3/PG 3 expand Show data source
Purity
99% expand Show data source
Linear Formula
CH3(CH2)3OCH2CH2OCH=CH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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