Basic information
- Name:
1-Adamantaneethanol
- CAS No.:
6240-11-5
- Molecular Structure:
- 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
- Appearance:
- white or cream solid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 22-24/25-36-26 Details
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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: Xi
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 .
