Basic information
- Name:
Methyl 2-(1-adamantyl)acetate
- CAS No.:
27174-71-6
- Molecular Structure:
- Formula:
- C13H20O2
- Molecular Weight:
- 208.2967
- Synonyms:
- 1-Adamantaneaceticacid, methyl ester (8CI);Methyl 1-adamantaneacetate;Tricyclo[3.3.1.13,7]decane-1-aceticacid, methyl ester;
- Density:
- 1.086 g/cm3
- Boiling Point:
- 261.8 °C at 760 mmHg
- Flash Point:
- 105.8 °C
- Hazard Symbols:
- Safety Description:
- 24/25 Details
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Chemistry
IUPAC Name: Methyl 2-(1-adamantyl)acetate
Molecular Structure: .png)
Molecular Formula: C13H20O2
Molecular Weight: 208.2967
CAS NO: 27174-71-6
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.515
Molar Refractivity: 57.85 cm3
Molar Volume: 191.7 cm3
Surface Tension: 42.4 dyne/cm
Density: 1.086 g/cm3
Flash Point: 105.8 °C
Enthalpy of Vaporization: 49.95 kJ/mol
Boiling Point: 261.8 °C at 760 mmHg
Vapour Pressure: 0.0113 mmHg at 25°C
Synonyms: Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester
Product Categories of Methyl 2-(1-adamantyl)acetate (CAS NO: 27174-71-6): Adamantane derivatives;Esters;Ring Systems SMILES: O=C(OC)CC13CC2CC(CC(C1)C2)C3
InChI: InChI=1/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3
InChIKey: MZIVXJGBKLZCKF-UHFFFAOYAF
Std. InChI: InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3
Std. InChIKey: MZIVXJGBKLZCKF-UHFFFAOYSA-N
Safety Profile
Safety Information about Methyl 2-(1-adamantyl)acetate (CAS NO: 27174-71-6):
Hazard Codes: 
Xi
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
Hazard Note: Irritant