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45103-58-0 molecular structure
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2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate

ChemBase ID: 147613
Molecular Formular: C9H16O4
Molecular Mass: 188.22094
Monoisotopic Mass: 188.10485899
SMILES and InChIs

SMILES:
CC(=C)C(=O)OCCOCCOC
Canonical SMILES:
COCCOCCOC(=O)C(=C)C
InChI:
InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3
InChIKey:
DAVVKEZTUOGEAK-UHFFFAOYSA-N

Cite this record

CBID:147613 http://www.chembase.cn/molecule-147613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
IUPAC Traditional name
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
Synonyms
2-(2-Methoxyethoxy)ethyl methacrylate
Di(ethylene glycol) methyl ether methacrylate
2-(2-甲氧基乙氧基)甲基丙烯酸乙酯
2-甲基-2-丙烯酸-2-(2-甲氧基乙氧基)乙酯
CAS Number
45103-58-0
EC Number
256-190-2
MDL Number
MFCD00059330
PubChem SID
24868372
162241800
PubChem CID
170752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
447927 external link Add to cart Please log in.
Data Source Data ID
PubChem 170752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2137742  LogD (pH = 7.4) 1.2137742 
Log P 1.2137742  Molar Refractivity 48.5046 cm3
Polarizability 19.253998 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
98 °C/3.5 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.02 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.44(lit.) 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
36/37/38-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335 expand Show data source
GHS Precautionary statements
P261-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
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
Contains
100 ppm hydroquinone monomethyl ether as inhibitor expand Show data source
300 ppm butylated hydroxytoluene as inhibitor expand Show data source
Linear Formula
H2C=C(CH3)CO2(CH2CH2O)2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 447927 external link
Packaging
100, 500 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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