1-phenylpentan-1-ol

• ChemBase ID: 110126
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: CCCCC(O)c1ccccc1
• Canonical SMILES: CCCCC(c1ccccc1)O
• InChI: InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
• InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpentan-1-ol
• IUPAC Traditional name: α-butylbenzyl alcohol
• Synonyms: n-BUTYLPHENYLCARBINOL; n-Butyl phenyl carbinol; 1-Phenyl-1-pentanol; 1-phenylpentan-1-ol; 1-苯基-1-戊醇

Database IDs

• CAS Number: 583-03-9
• EC Number: 209-493-9
• MDL Number: MFCD00021935
• Beilstein Number: 1908761
• Merck Index: 143975
• PubChem SID: 162106359
• PubChem CID: 3338

CALCULATED PROPERTIES

• Acid pKa: 14.485039
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0341308
• LogD (pH = 7.4): 3.0341308
• Log P: 3.0341308
• Molar Refractivity: 51.0187 cm^3
• Polarizability: 20.179295 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 137°C/2mm
• Density: 0.960
• Refractive Index: 1.5080
• Hydrophobicity(logP): 3.0

Safety Information

• RTECS: DN8780000
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312

Product Information

• Purity: 95%; 95+%

DETAILS

MP Biomedicals - 05213847

MP Biomedicals Rare Chemical collection