5,6,7,8-tetrahydronaphthalen-1-ol

• ChemBase ID: 148501
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: c1cc2c(c(c1)O)CCCC2
• Canonical SMILES: Oc1cccc2c1CCCC2
• InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
• InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: 5,6,7,8-tetrahydro-1-naphthol
• Synonyms: 5,6,7,8-Tetrahydro-1-naphthol; 5,6,7,8-tetrahydronaphthalen-1-ol; 5,6,7,8-四氢-1-萘酚

Database IDs

• CAS Number: 529-35-1
• EC Number: 208-461-1
• MDL Number: MFCD00001734
• Beilstein Number: 1865081
• PubChem SID: 24899958; 162242676
• PubChem CID: 68258

CALCULATED PROPERTIES

• Acid pKa: 10.379463
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.121929
• LogD (pH = 7.4): 3.1214821
• Log P: 3.1219347
• Molar Refractivity: 45.5211 cm^3
• Polarizability: 17.423792 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C; 69-71 °C(lit.); 69-71°C
• Boiling Point: 264-265 °C/705 mmHg(lit.); 264-265°C/705mm
• Hydrophobicity(logP): 3.047

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... BAD(572)

Product Information

• Purity: 95%; 95+%; 99%
• Empirical Formula (Hill Notation): C10H12O

DETAILS

Sigma Aldrich - T13404

Packaging
10, 50 g in glass bottle