2-(naphthalen-1-yl)ethan-1-ol

• ChemBase ID: 68936
• Molecular Formular: C12H12O
• Molecular Mass: 172.22308
• Monoisotopic Mass: 172.088815
• SMILES: c1(cccc2ccccc12)CCO
• Canonical SMILES: OCCc1cccc2c1cccc2
• InChI: InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
• InChIKey: RXWNCMHRJCOWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(naphthalen-1-yl)ethanol
• Synonyms: 2-(1-Naphthyl)ethanol; 1-Naphthaleneethanol; 1-(2-Hydroxyethyl)naphthalene; 2-(α-Naphthyl)ethanol; 2-Naphthalen-1-yl-ethanol; NSC 28342; 2-(1-Naphthyl)ethanol; 2-(1-Naphthyl)ethanol; 1-Naphthaleneethanol; 1-(2-Hydroxyethyl)naphthalene; 2-Naphthaleneethanol; 2-(1-萘基)乙醇; 2-(1-萘基)乙醇; 1-萘乙醇

Database IDs

• CAS Number: 773-99-9; 7228-47-9
• EC Number: 212-260-4
• MDL Number: MFCD00004050
• PubChem SID: 162034666; 24851054
• PubChem CID: 13047

CALCULATED PROPERTIES

• Acid pKa: 15.8458395
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.484034
• LogD (pH = 7.4): 2.484034
• Log P: 2.484034
• Molar Refractivity: 54.0791 cm^3
• Polarizability: 22.168518 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Off-White Powder
• Melting Point: 58°C; 60-64°C; 62-65 °C(lit.)
• Boiling Point: 186 °C/17 mmHg(lit.); 186°C/17mm

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

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

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: C10H7CH2CH2OH

DETAILS

Sigma Aldrich - 183458

Packaging
10, 50 g in poly bottle
Total impurities <5% 2-isomer

Toronto Research Chemicals - N378325

2-(1-Naphthyl)ethanol is a toxic naphthalene derivative.

REFERENCES

• Schultz, T.E., et al.: Ecotoxicology and Environmental Safety, 7, 191 (1983)