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Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)-

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Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)-

EINECS 212-266-7
CAS No. 774-55-0 Density 1.038 g/cm3
PSA 17.07000 LogP 2.76800
Solubility Slightly soluble in water. Melting Point -21°C
Formula C12H14O Boiling Point 312.4 °C at 760 mmHg
Molecular Weight 174.243 Flash Point 133.9 °C
Transport Information UN 3082 9 Appearance N/A
Safety 61 Risk Codes 22-51/53
Molecular Structure Molecular Structure of 774-55-0 (6-ACETYLTETRAHYDRONAPHTHALENE) Hazard Symbols HarmfulXn;DangerousN
Synonyms

2'-Acetonaphthone,5',6',7',8'-tetrahydro- (6CI,7CI,8CI);1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethanone;2-Acetyl-5,6,7,8-tetrahydronaphthalene;5,6,7,8-Tetrahydronaphth-2-yl methyl ketone;6-Acetyl-1,2,3,4-tetrahydronaphthalene;6-Acetyltetralin;NSC 5179;

Article Data 46

Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)- Specification

The Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, with the CAS registry number 774-55-0 and EINECS registry number 212-266-7, has the systematic name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives. And the molecular formula of the chemical is C12H14O.

The characteristics of Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)- are as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 207.22; (6)ACD/BCF (pH 7.4): 207.22; (7)ACD/KOC (pH 5.5): 1583.83; (8)ACD/KOC (pH 7.4): 1583.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 167.7 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 133.9 °C; (20)Enthalpy of Vaporization: 55.34 kJ/mol; (21)Boiling Point: 312.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00053 mmHg at 25°C.

Preparation of Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)-: This chemical can be prepared by pacetic acid anhydride and 1,2,3,4-tetrahydro-naphthalene. The reaction will need reagent AlCl3, and the menstruum CH2Cl2. The reaction time is 15 hours with ambient temperature, and the yield is about 85%. 

Uses of Ethanone,1-(5,6,7,8-tetrahydro-2-naphthalenyl)-: It can react with morpholine to produce 4-[(5,6,7,8-tetrahydro-[2]naphthyl)-thioacetyl]-morpholine. This reaction will need reagent S. The reaction time is 24 hours with heating, and the yield is about 80%. 

You should be cautious while dealing with this chemical. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It is also harmful if swallowed. Therefore, you had better take the following instructions: Avoid release to the environment. Refer to special instructions safety data sheet.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc2c(c1)CCCC2)C
(2)InChI: InChI=1/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
(3)InChIKey: VEPUKHYQNXSSKV-UHFFFAOYAZ

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