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Basic Information
CAS No.: 6240-11-5
Name: 1-Adamantaneethanol
Article Data: 26
Molecular Structure:
Molecular Structure of 6240-11-5 (1-Adamantaneethanol)
Formula: C12H20O
Molecular Weight: 180.29
Synonyms: 1-Adamantaneethanol(8CI);1-(2-Hydroxyethyl)adamantane;2-(1-Adamantyl)-1-ethanol;2-(1-Adamantyl)ethanol;2-(1-Adamantyl)ethylalcohol;2-(Adamantan-1-yl)ethanol;
EINECS: 228-353-8
Density: 1.065 g/cm3
Melting Point: 66-69 °C(lit.)
Boiling Point: 275.1 °C at 760 mmHg
Flash Point: 129 °C
Solubility: Insoluble in water
Appearance: white or cream solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36-26
PSA: 20.23000
LogP: 2.58520
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Chemistry

Product Name: 1-Adamantaneethanol (CAS NO.6240-11-5)

Molecular Formula: C12H20O
Molecular Weight: 180.29g/mol
Mol File: 6240-11-5.mol
EINECS: 228-353-8
Appearance: white or cream solid
Melting Point: 66-69 °C(lit.)
Boiling point: 275.1 °C at 760 mmHg
Flash Point: 129 °C
Density: 1.065 g/cm3
Stability: Stable. Incompatible with strong oxidizing agents, strong acids, acid halides.
Index of Refraction: 1.538 
Molar Refractivity: 52.98 cm3 
Molar Volume: 169.2 cm3 
Surface Tension: 46.3 dyne/cm
Enthalpy of Vaporization: 59.62 kJ/mol
Vapour Pressure: 0.000655 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 1-Adamantaneethanol (CAS NO.6240-11-5):
  IUPAC Name: 2-(1-adamantyl)ethanol 
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CCO
  InChI: InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2 
  InChIKey: ZBIDZPHRNBZTLT-UHFFFAOYSA-N
Product Categories: Adamantane derivatives; Alkohols; Adamantanes

Safety Profile

Safety Information of 1-Adamantaneethanol (CAS NO.6240-11-5):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38  
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Specification

 1-Adamantaneethanol , its CAS NO. is 6240-11-5, the synonyms are 2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol ; 1-(2-Hydroxyethyl)adamantane .