Basic information
- Name:
2-Adamantanone
- CAS No.:
700-58-3
- Molecular Structure:
- Formula:
- C10H14O
- Molecular Weight:
- 150.22
- Synonyms:
- Tricyclo[3.3.1.13,7]decanone;2-Oxoadamantane;tricyclo[3.3.1.1(3,7)]decan-2-one;2-Adamantantanone;Tricyclo(3,3,1,13,7)decanone;adamantan-2-one;Adamantanone;Tricyclo(3.3.1.13,7)decanone (9CI);Tricyclo(3.3.1.1(sup 3,7))decanone;Tricyclo(3.3.1.13,7)decan-2-one;
- EINECS:
- 211-847-2
- Density:
- 1.105 g/cm3
- Melting Point:
- 256-258 °C (subl.)(lit.)
- Boiling Point:
- 246.7 °C at 760 mmHg
- Flash Point:
- 95.7 °C
- Solubility:
- methanol: 0.1 g/mL, clear
- Appearance:
- white to off-white crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 52-36/37/38
- Safety Description:
- 22-24/25-36-26 Details
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Chemistry
IUPAC Name: Adamantan-2-one
Synonyms of 2-Adamantanone (CAS NO.700-58-3): 2-Adamantone ; 2-Oxoadamantane ; Adamantanone ; Tricyclo(3.3.1.13,7)decan-2-one ; Tricyclo(3.3.1.13,7)decanone (9CI)
CAS NO: 700-58-3
Molecular Formula: C10H14O
Molecular Weight: 150.22
Molecular Structure: 
EINECS: 211-847-2
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.535
Molar Refractivity: 42.35 cm3
Molar Volume: 135.9 cm3
Surface Tension: 38.6 dyne/cm
Density: 1.105 g/cm3
Flash Point: 95.7 °C
Enthalpy of Vaporization: 48.39 kJ/mol
Boiling Point: 246.7 °C at 760 mmHg
Vapour Pressure: 0.0267 mmHg at 25°C
Melting Point: 256-258 °C (subl.)(lit.)
Solubility: methanol: 0.1 g/mL, clear
Appearance: white to off-white crystalline powder
Product Categories of 2-Adamantanone (CAS NO.700-58-3): Adamantane Derivative;FINE Chemical & INTERMEDIATES;Adamantane derivatives;Adamantanes;Ring Systems;C10;Carbonyl Compounds;Ketones
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 780mg/kg (780mg/kg) | Pharmaceutical Chemistry Journal Vol. 10, Pg. 454, 1976. |
Safety Profile
Safety Information about 2-Adamantanone (CAS NO.700-58-3):
Hazard Codes: 
Xi
Risk Statements: 52-36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
R52: Harmful to aquatic organisms.
Safety Statements: 22-24/25-36-26
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 2
RTECS: AU5018000
Hazard Note: Irritant
HS Code: 29142900
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.
