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| CAS No.: | 529-35-1 |
|---|---|
| Name: | 5,6,7,8-TETRAHYDRO-1-NAPHTHOL |
| Molecular Structure: | |
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| Formula: | C10H12O |
| Molecular Weight: | 148.205 |
| Synonyms: | 1,2,3,4-Tetrahydro-5-naphthol;1-Hydroxy-5,6,7,8-tetrahydronaphthalene;5,6,7,8-Tetrahydro-1-hydroxynaphthalene;5,6,7,8-Tetrahydro-a-naphthol;5,6,7,8-Tetrahydronaphthalen-1-ol;5-Hydroxytetralin;NSC28822;Tetrahydro-a-naphthol;1-Naphthol,5,6,7,8-tetrahydro- (7CI,8CI);1,2,3,4-Tetrahydro-5-hydroxynaphthalene; |
| EINECS: | 208-461-1 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 69-71 °C(lit.) |
| Boiling Point: | 268.2 °C at 760 mmHg |
| Flash Point: | 122.6 °C |
| Appearance: | white to slightly pink crystalline mass or |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 20.23000 |
| LogP: | 2.27100 |
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Specification
The CAS registry number of 1-Naphthalenol,5,6,7,8-tetrahydro- is 529-35-1. The IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-ol. Its EINECS registry number is 208-461-1. In addition, the molecular formula is C10H12O and the molecular weight is 148.20. It is a kind of white to slightly pink crystalline mass and belongs to the classes of Organic Building Blocks; Oxygen Compounds; Phenols. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.17; (3)ACD/LogD (pH 7.4): 3.17; (4)ACD/BCF (pH 5.5): 150.44; (5)ACD/BCF (pH 7.4): 150.34; (6)ACD/KOC (pH 5.5): 1259.4; (7)ACD/KOC (pH 7.4): 1258.58; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 44.92 cm3; (14)Molar Volume: 134.6 cm3; (15)Polarizability: 17.8 ×10-24cm3; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 122.6 °C; (19)Enthalpy of Vaporization: 52.66 kJ/mol; (20)Boiling Point: 268.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00473 mmHg at 25°C.
Preparation of 1-Naphthalenol,5,6,7,8-tetrahydro-: it can be prepared by naphthalen-1-ol. This reaction is a kind of reduction reaction. The reaction will need reagent Raney Ni-Al and solvents aq. KOH and H2O. And the reaction time is 3.5 hours at reaction temperature of 90 °C. The yield is about 93%.
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Uses of 1-Naphthalenol,5,6,7,8-tetrahydro-: it can react with 3,4-dihydro-2H-pyran to get 2-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-tetrahydro-pyran. This reaction will need reagent pyridinium p-toluenesulfonate and solvent CH2Cl2. The reaction time is 1 hour with ambient temperature. The yield is about 100%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc2c1CCCC2
(2)InChI: InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
(3)InChIKey: SCWNNOCLLOHZIG-UHFFFAOYAP