7-methyl-2,3-dihydro-1H-inden-4-ol

• ChemBase ID: 79362
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: Oc1c2c(c(cc1)C)CCC2
• Canonical SMILES: Cc1ccc(c2c1CCC2)O
• InChI: InChI=1S/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3
• InChIKey: XHMLXYGITDAGDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2,3-dihydro-1H-inden-4-ol
• IUPAC Traditional name: 7-methyl-2,3-dihydro-1H-inden-4-ol
• Synonyms: 7-Methylindan-4-ol; 4-Hydroxy-7-methylindane; 7-Methyl-4-indanol; 4-羟基-7甲基茚

Database IDs

• CAS Number: 16400-13-8
• EC Number: 240-450-7
• MDL Number: MFCD00173675
• PubChem SID: 162044125
• PubChem CID: 85398

CALCULATED PROPERTIES

• Acid pKa: 10.7117605
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1907847
• LogD (pH = 7.4): 3.1905768
• Log P: 3.1907873
• Molar Refractivity: 45.9613 cm^3
• Polarizability: 17.343874 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%