ethyl 3-ethoxypropanoate

• ChemBase ID: 158714
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 763-69-9
• EC Number: 212-112-9
• MDL Number: MFCD00051356
• PubChem SID: 162252850; 24878234
• PubChem CID: 12989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.69905543
• LogD (pH = 7.4): 0.69905543
• Log P: 0.69905543
• Molar Refractivity: 38.0628 cm^3
• Polarizability: 15.110173 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -100°C
• Boiling Point: 166 °C(lit.); 169-171°C
• Flash Point: 136.4 °F; 58 °C; 59°C(142°F)
• Density: 0.949; 0.95 g/mL at 25 °C(lit.)
• Refractive Index: 1.4065; n20/D 1.405(lit.)
• Vapor Density: 5.03 (vs air)

Safety Information

• RTECS: UF3325000
• UN Number: 3272; UN3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 19-66
• Safety Statements: 16
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• RID/ADR: UN 3272 3/PG 3
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: 99%; 99+%
• Linear Formula: C2H5OCH2CH2CO2C2H5

DETAILS

Sigma Aldrich - 537586

Application
Used as solvent in preparing new polymers.1,2
Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
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