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1,2,3,4-Tetrahydro-1-naphthol

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1,2,3,4-Tetrahydro-1-naphthol

EINECS 208-459-0
CAS No. 529-33-9 Density 1.112 g/cm3
PSA 20.23000 LogP 2.05630
Solubility Soluble in alcohol, chloroform and benzene, insoluble in water Melting Point 28-32 °C
Formula C10H12O Boiling Point 254.8 °C at 760 mmHg
Molecular Weight 148.205 Flash Point 99.9 °C
Transport Information N/A Appearance clear colourless to slightly brown viscous liquid
Safety 22-24/25-37/39-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 529-33-9 (1,2,3,4-Tetrahydro-1-naphthol) Hazard Symbols HarmfulXn
Synonyms

1-Hydroxytetralin;Tetralin-1-ol;Tetrahydro-1-naphthol (VAN);alpha-Tetralol;

Article Data 238

1,2,3,4-Tetrahydro-1-naphthol 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)

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.

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