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| CAS No.: | 529-33-9 |
|---|---|
| Name: | 1,2,3,4-Tetrahydro-1-naphthol |
| Article Data: | 238 |
| Molecular Structure: | |
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|
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| Formula: | C10H12O |
| Molecular Weight: | 148.205 |
| Synonyms: | 1-Hydroxytetralin;Tetralin-1-ol;Tetrahydro-1-naphthol (VAN);alpha-Tetralol; |
| EINECS: | 208-459-0 |
| Density: | 1.112 g/cm3 |
| Melting Point: | 28-32 °C |
| Boiling Point: | 254.8 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| Solubility: | Soluble in alcohol, chloroform and benzene, insoluble in water |
| Appearance: | clear colourless to slightly brown viscous liquid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36/37/38 |
| Safety: | 22-24/25-37/39-26 |
| PSA: | 20.23000 |
| LogP: | 2.05630 |
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Specification
The α-Tetralol is an organic compound with the formula C10H12O. The IUPAC name of this chemical is 1,2,3,4-tetrahydronaphthalen-1-ol. With the CAS registry number 529-33-9 and EINECS 208-459-0, it is also named as 1-Naphthalenol, 1,2,3,4-tetrahydro-. The classification code is Skin / Eye Irritant. It is clear colourless to slightly brown viscous liquid which is soluble in alcohol, chloroform and benzene, insoluble in water. What's more, it can be obtained by the oxidation of tetrahydronaphthalene in the presence of catalytic agent. In addition, this chemical should be stored at the temperature of 2-8 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.4; (6)ACD/BCF (pH 7.4): 21.4; (7)ACD/KOC (pH 5.5): 311.81; (8)ACD/KOC (pH 7.4): 311.81; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 44.62 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 17.69×10-24 cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 52.01 kJ/mol; (21)Boiling Point: 254.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00874 mmHg at 25°C.
Uses of α-Tetralol: It is the intermediate of rodenticide coumatetralyl. And it can react with acetic acid anhydride to get acetic acid-(1,2,3,4-tetrahydro-[1]naphthyl ester). This reaction needs reagent K5CoW12O40*3H2O at temperature of 20 °C. The reaction time is 10 min. The yield is 100 % Chromat.
![α-Tetralol can react with acetic acid anhydride to get acetic acid-(1,2,3,4-tetrahydro-[1]naphthyl ester)](/UserFilesUpload/Uses of α-Tetralol.gif)
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:OC2c1ccccc1CCC2
2. InChI:InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
3. InChIKey:JAAJQSRLGAYGKZ-UHFFFAOYAE
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1620mg/kg (1620mg/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |