2-propoxyethan-1-ol

• ChemBase ID: 158019
• Molecular Formular: C5H12O2
• Molecular Mass: 104.14758
• Monoisotopic Mass: 104.08372962
• SMILES: CCCOCCO
• Canonical SMILES: CCCOCCO
• InChI: InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
• InChIKey: YEYKMVJDLWJFOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propoxyethan-1-ol
• IUPAC Traditional name: methylethyl glycol
• Synonyms: 2-Propoxyethanol; Propyl glycol; Ethylene glycol monopropyl ether; EP Solvent; 2-propoxyethan-1-ol; 2-丙氧基乙醇; 丙氧基乙醇; 乙二醇单正丙醚; 乙二醇丙醚

Database IDs

• CAS Number: 2807-30-9
• EC Number: 220-548-6
• MDL Number: MFCD00072645
• Beilstein Number: 1731983
• PubChem SID: 162252155; 24887969; 24878241
• PubChem CID: 17756

CALCULATED PROPERTIES

• Acid pKa: 15.121321
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31377777
• LogD (pH = 7.4): 0.31377777
• Log P: 0.31377777
• Molar Refractivity: 28.5774 cm^3
• Polarizability: 11.260503 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -75 °C(lit.); -76 - -75°C
• Boiling Point: 150-153 °C(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.913 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.413; n20/D 1.413(lit.)
• Vapor Pressure: 1.3 mmHg ( 20 °C)
• Hydrophobicity(logP): 0.312

Safety Information

• RTECS: KM2800000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1986
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 21-36
• Safety Statements: 26-36/37-46
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H312-H319; H312-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1986 3/PG 3

Product Information

• Purity: ≥99.0% (GC); 95%; 99.4%
• Grade: puriss.; ReagentPlus®
• Linear Formula: CH3CH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 537675

Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC