2-(prop-2-en-1-yloxy)ethan-1-ol

• ChemBase ID: 146641
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C=CCOCCO
• Canonical SMILES: OCCOCC=C
• InChI: InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
• InChIKey: GCYHRYNSUGLLMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-yloxy)ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(2-propenyloxy)-
• Synonyms: Ethylene glycol allyl ether; 2-Allyloxyethanol; 乙二醇单烯丙基醚; 2-烯丙氧基乙醇

Database IDs

• CAS Number: 111-45-5
• EC Number: 203-871-7
• MDL Number: MFCD00020607
• PubChem SID: 162240835; 24871224
• PubChem CID: 8116

CALCULATED PROPERTIES

• Acid pKa: 15.120516
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16569725
• LogD (pH = 7.4): 0.16569723
• Log P: 0.16569725
• Molar Refractivity: 28.4675 cm^3
• Polarizability: 11.014766 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 159 °C(lit.)
• Flash Point: 150.8 °F; 66 °C
• Density: 0.955 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.)

Safety Information

• RTECS: KJ5425000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: H2C=CHCH2OCH2CH2OH

DETAILS

Sigma Aldrich - 476234

Packaging
1 L in poly bottle
250 mL in poly bottle