1-cyclohexylpropan-1-ol

• ChemBase ID: 110344
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCC(O)C1CCCCC1
• Canonical SMILES: CCC(C1CCCCC1)O
• InChI: InChI=1S/C9H18O/c1-2-9(10)8-6-4-3-5-7-8/h8-10H,2-7H2,1H3
• InChIKey: JVTXOMXEPFDMHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpropan-1-ol
• IUPAC Traditional name: 1-cyclohexylpropan-1-ol
• Synonyms: Cyclohexyl ethyl carbinol; 1-Cyclohexyl-1-propanol; 1-CYCLOHEXYLPROPANOL-1; 1-环己基-1-丙醇

Database IDs

• CAS Number: 17264-02-7
• EC Number: 241-295-8
• MDL Number: MFCD00001476
• PubChem SID: 162095988
• PubChem CID: 86535

CALCULATED PROPERTIES

• Acid pKa: 19.048492
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5348036
• LogD (pH = 7.4): 2.5348036
• Log P: 2.5348036
• Molar Refractivity: 42.9491 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 84°C(183°F)
• Density: 0.90

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05214618

MP Biomedicals Rare Chemical collection