1,2,3,4-tetrahydronaphthalen-1-ol

• ChemBase ID: 81538
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: OC1c2ccccc2CCC1
• Canonical SMILES: OC1CCCc2c1cccc2
• InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
• InChIKey: JAAJQSRLGAYGKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalen-1-ol
• Synonyms: α-Tetralol; 1,2,3,4-Tetrahydro-1-naphthol; 1,2,3,4-Tetrahydronaphthalen-1-ol; 1-Hydroxy-1,2,3,4-tetrahydronaphthalene; 1,2,3,4-TETRAHYDRO-2-NAPHTHOL; α-TETRALOL; α-四氢萘酚; 1,2,3,4-四氢-1-萘酚

Database IDs

• CAS Number: 529-33-9
• EC Number: 208-459-0
• MDL Number: MFCD00001739
• Beilstein Number: 2046227
• PubChem SID: 24847486; 162068657
• PubChem CID: 10723

CALCULATED PROPERTIES

• Acid pKa: 14.48746
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.194689
• LogD (pH = 7.4): 2.194689
• Log P: 2.194689
• Molar Refractivity: 45.0557 cm^3
• Polarizability: 17.51281 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-104 °C/2 mmHg(lit.); 102-104°C
• Flash Point: 113 °C; 235.4 °F
• Density: 1.09; 1.09 g/ml; 1.09 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.564(lit.)

Safety Information

• Storage Warning: Harmful
• RTECS: QL5075000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 22-24/25; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H12O

DETAILS

MP Biomedicals - 05205634

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156809

(1,2,3,4-Tetrahydro-1-naphthol)
1 ml = approx. 1.09 g

Sigma Aldrich - 122408

Packaging
5, 25 g in glass bottle