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| CAS No.: | 6072-57-7 |
|---|---|
| Name: | 3-METHYLINDAN-1-ONE |
| Molecular Structure: | |
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| Formula: | C10H10O |
| Molecular Weight: | 146.189 |
| Synonyms: | 1-Indanone,3-methyl- (6CI,7CI,8CI);1-Indanone, 3-methyl-, (?à)-;(?à)-2,3-Dihydro-3-methyl-1H-inden-1-one;2,3-Dihydro-3-methyl-1H-inden-1-one;3-Methyl-1-indanone;3-Methyl-2,3-dihydro-1H-inden-1-one;3-Methylindanone; |
| Density: | 1.082 g/cm3 |
| Boiling Point: | 226.7 °C at 760 mmHg |
| Flash Point: | 87.5 °C |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.37650 |
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Specification
The 3-Methylindan-1-one with the cas number 6072-57-7 is also called 1H-Inden-1-one,2,3-dihydro-3-methyl-. The IUPAC name is 1-methyl-1,3-dihydroinden-2-one. Its molecular formula is C10H10O. This chemical belongs to the following product categories: (1)Indanone & Indene; (2)C10; (3)Carbonyl Compounds; (4)Ketones.
The properties of the chemical are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 43.26 cm3; (9)Molar Volume: 135 cm3; (10)Polarizability: 17.15×10-24cm3; (11)Surface Tension: 38.2 dyne/cm; (12)Enthalpy of Vaporization: 46.33 kJ/mol; (13)Vapour Pressure: 0.0805 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(C2)C
(2)InChI: InChI=1/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
(3)InChIKey: XVTQSYKCADSUHN-UHFFFAOYAR