2,3-dihydro-1H-inden-5-ol

• ChemBase ID: 89789
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: Oc1cc2c(cc1)CCC2
• Canonical SMILES: Oc1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
• InChIKey: PEHSSTUGJUBZBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-5-ol
• IUPAC Traditional name: 5-indanol
• Synonyms: 5-Hydroxyindan; 5-Indanol; 5-Hydroxyindane; 2,3-Dihydro-1H-inden-5-ol; 5-HYDROXYHYDRINDENE; Indan-5-ol; 2,3-Dihydro-1H-inden-5-ol; 5-Hydroxyindane 98%; 5-羟基茚满; 5-茚醇

Database IDs

• CAS Number: 1470-94-6
• EC Number: 216-006-3
• MDL Number: MFCD00003802
• Beilstein Number: 1936314
• PubChem SID: 162076645; 24895966
• PubChem CID: 15118

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 10.388636
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6773605
• LogD (pH = 7.4): 2.6769228
• Log P: 2.677366
• Molar Refractivity: 40.9201 cm^3
• Polarizability: 15.576942 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Apperance: slightly brown
• Melting Point: 51°C; 51-53 °C(lit.); 51-53°C; 51-54 °C; 51-55°C
• Boiling Point: 255 °C(lit.); 255°C; 255°C
• Flash Point: 110 °C; 130°C; 130°C(266°F); 230 °F

Safety Information

• Storage Warning: Harmful
• RTECS: NK7525000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21; 21-36/37/38; R:27
• Safety Statements: 26-36/37; 36/37; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H311; H311-H315-H319-H335-H303
• GHS Precautionary statements: P261-P305+P351+P338-P361-P302+P352-P405-P501A; P280-P312
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (HPLC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C9H10O

DETAILS

MP Biomedicals - 05206632

MP Biomedicals Rare Chemical collection

Sigma Aldrich - I2215

Packaging
25 g in poly bottle