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763-69-9 molecular structure
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ethyl 3-ethoxypropanoate

ChemBase ID: 158714
Molecular Formular: C7H14O3
Molecular Mass: 146.18426
Monoisotopic Mass: 146.09429431
SMILES and InChIs

SMILES:
CCOCCC(=O)OCC
Canonical SMILES:
CCOCCC(=O)OCC
InChI:
InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
InChIKey:
BHXIWUJLHYHGSJ-UHFFFAOYSA-N

Cite this record

CBID:158714 http://www.chembase.cn/molecule-158714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-ethoxypropanoate
IUPAC Traditional name
ethyl 3-ethoxypropanoate
Synonyms
Ethyl 3-ethoxypropionate
EEP Solvent
Ethyl 3-ethoxypropionate
3-Ethoxypropionic acid ethyl ester
丙酸3-乙醚乙酯
3-乙氧基丙酸乙酯
CAS Number
763-69-9
EC Number
212-112-9
MDL Number
MFCD00051356
PubChem SID
162252850
24878234
PubChem CID
12989

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12989 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.69905543  LogD (pH = 7.4) 0.69905543 
Log P 0.69905543  Molar Refractivity 38.0628 cm3
Polarizability 15.110173 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-100°C expand Show data source
Boiling Point
166 °C(lit.) expand Show data source
169-171°C expand Show data source
Flash Point
136.4 °F expand Show data source
58 °C expand Show data source
59°C(142°F) expand Show data source
Density
0.949 expand Show data source
0.95 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4065 expand Show data source
n20/D 1.405(lit.) expand Show data source
Vapor Density
5.03 (vs air) expand Show data source
RTECS
UF3325000 expand Show data source
UN Number
3272 expand Show data source
UN3272 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
19-66 expand Show data source
Safety Statements
16 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
RID/ADR
UN 3272 3/PG 3 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Purity
99% expand Show data source
99+% expand Show data source
Linear Formula
C2H5OCH2CH2CO2C2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 537586 external link
Application
Used as solvent in preparing new polymers.1,2
Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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