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| CAS No.: | 62803-47-8 |
|---|---|
| Name: | 6-Hydroxy-1-indanone |
| Molecular Structure: | |
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| Formula: | C9H8O2 |
| Molecular Weight: | 148.161 |
| Synonyms: | 1-Indanone,6-hydroxy- (6CI,7CI);6-Hydroxy-2,3-dihydro-1H-inden-1-one;6-Hydroxy-2,3-dihydroinden-1-one;6-Hydroxyindan-1-one; |
| Density: | 1.305 g/cm3 |
| Melting Point: | 154-158 °C(lit.) |
| Boiling Point: | 329 °C at 760 mmHg |
| Flash Point: | 139.8 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/38-43 |
| Safety: | 26-36/37 |
| PSA: | 37.30000 |
| LogP: | 1.52110 |
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Specification
The IUPAC name of 6-Hydroxy-1-indanone is 6-hydroxy-2,3-dihydroinden-1-one. With the CAS registry number 62803-47-8, it is also named as 1H-Inden-1-one,2,3-dihydro-6-hydroxy-. The product's categories are Indanone & Indene; C9; Carbonyl Compounds; Ketones. Besides, it is white to light yellow crystal powder, which should be stored in a tightly sealed container in a cool and dry place.
The other characteristics of 6-Hydroxy-1-indanone can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.33; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 234.06; (8)ACD/KOC (pH 7.4): 232; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 40.43 cm3; (14)Molar Volume: 113.4 cm3; (15)Surface Tension: 57.8 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 139.8 °C; (18)Melting Point: 154-158 °C; (19)Enthalpy of Vaporization: 59.42 kJ/mol; (20)Boiling Point: 329 °C at 760 mmHg; (21)Vapour Pressure: 9.51E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: this product is harmful if swallowed and irritating to eyes and skin. It also may cause sensitization by skin contact. You should wear suitable protective clothing and gloves when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2c1cc(O)ccc1CC2
(2)InChI:InChI=1/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2
(3)InChIKey:MOANRQDXNNXOLW-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2
(5)Std. InChIKey:MOANRQDXNNXOLW-UHFFFAOYSA-N