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623-50-7 molecular structure
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ethyl 2-hydroxyacetate

ChemBase ID: 145376
Molecular Formular: C4H8O3
Molecular Mass: 104.10452
Monoisotopic Mass: 104.04734412
SMILES and InChIs

SMILES:
CCOC(=O)CO
Canonical SMILES:
CCOC(=O)CO
InChI:
InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3
InChIKey:
ZANNOFHADGWOLI-UHFFFAOYSA-N

Cite this record

CBID:145376 http://www.chembase.cn/molecule-145376.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-hydroxyacetate
IUPAC Traditional name
ethyl 2-hydroxyacetate
Synonyms
Ethyl glycolate
Ethyl 2-hydroxyacetate
Ethyl hydroxyacetate
Glycolic acid ethyl ester
乙醇酸乙酯
CAS Number
623-50-7
EC Number
210-798-4
MDL Number
MFCD00021970
PubChem SID
24862461
162239582
PubChem CID
12184

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.128312  H Acceptors
H Donor LogD (pH = 5.5) -0.53789175 
LogD (pH = 7.4) -0.5378926  Log P -0.53789175 
Molar Refractivity 23.8636 cm3 Polarizability 9.575006 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
158-159 °C(lit.) expand Show data source
158-159°C expand Show data source
Flash Point
143.6 °F expand Show data source
61°C(143°F) expand Show data source
62 °C expand Show data source
Density
1.1 g/mL at 25 °C(lit.) expand Show data source
1.10 expand Show data source
Refractive Index
1.4190 expand Show data source
n20/D 1.419(lit.) expand Show data source
RTECS
MC5410000 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
26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H227 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P280-P370+P378A-P403+P235-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
HOCH2CO2C2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 364843 external link
Application
Important building block for the preparation of medicinal compounds and agrochemicals.1
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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