1-pentylcyclopentan-1-ol

• ChemBase ID: 112040
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCCC1(O)CCCC1
• Canonical SMILES: CCCCCC1(O)CCCC1
• InChI: InChI=1S/C10H20O/c1-2-3-4-7-10(11)8-5-6-9-10/h11H,2-9H2,1H3
• InChIKey: LPRXLSZAZXWDMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-pentylcyclopentan-1-ol
• IUPAC Traditional name: 1-pentylcyclopentan-1-ol
• Synonyms: n-AMYL CYCLOPENTANOL; 1-(n-Amyl)cyclopentanol; 1-(n-Pentyl)cyclopentanol; 1-(正戊基)环戊醇

Database IDs

• CAS Number: 84560-00-9; 194800-16-3
• MDL Number: MFCD00019284
• PubChem SID: 162097193
• PubChem CID: 549095

CALCULATED PROPERTIES

• Acid pKa: 19.429546
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9729297
• LogD (pH = 7.4): 2.97293
• Log P: 2.97293
• Molar Refractivity: 47.6397 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 82°C(180°F)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• 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: 98%

DETAILS

MP Biomedicals - 05222286

MP Biomedicals Rare Chemical collection