2-cyclopropylethan-1-ol

• ChemBase ID: 272894
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C1CC1CCO
• Canonical SMILES: OCCC1CC1
• InChI: InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2
• InChIKey: LUNMJRJMSXZSLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylethan-1-ol
• IUPAC Traditional name: 2-cyclopropylethanol
• Synonyms: Cyclopropaneethanol; (2-Hydroxyethyl)cyclopropane; 2-Cyclopropylethanol; 2-cyclopropylethan-1-ol; 2-环丙基乙醇

Database IDs

• CAS Number: 2566-44-1
• EC Number: 000-000-0
• MDL Number: MFCD00040762
• Beilstein Number: 2036028
• PubChem SID: 164328804
• PubChem CID: 137642

CALCULATED PROPERTIES

• Acid pKa: 17.067015
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.62861514
• LogD (pH = 7.4): 0.62861514
• Log P: 0.62861514
• Molar Refractivity: 24.8813 cm^3
• Polarizability: 9.8283 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 137-138°C
• Flash Point: 47°C(116°F)
• Refractive Index: 1.4355
• Hydrophobicity(logP): 0.738

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1987
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 96%