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27174-71-6

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Basic Information
CAS No.: 27174-71-6
Name: Methyl 2-(1-adamantyl)acetate
Article Data: 12
Molecular Structure:
Molecular Structure of 27174-71-6 (Methyl 2-(1-adamantyl)acetate)
Formula: C13H20O2
Molecular Weight: 208.301
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: 24/25
PSA: 26.30000
LogP: 2.76590
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Chemistry

IUPAC Name: Methyl 2-(1-adamantyl)acetate
Molecular Structure:
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: IrritantXi
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
Hazard Note: Irritant