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Ethanone,1-(1-hydroxy-2-naphthalenyl)-

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Ethanone,1-(1-hydroxy-2-naphthalenyl)-

EINECS 211-918-8
CAS No. 711-79-5 Density 1.213 g/cm3
PSA 37.30000 LogP 2.74800
Solubility Insoluble in water. Melting Point 98-100 °C(lit.)
Formula C12H10O2 Boiling Point 334.9 °C at 760 mmHg
Molecular Weight 186.21 Flash Point 142.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 711-79-5 (1'-HYDROXY-2'-ACETONAPHTHONE) Hazard Symbols IrritantXi
Synonyms

2-Acetonaphthone,1-hydroxy- (4CI);2'-Acetonaphthone, 1'-hydroxy- (6CI,7CI,8CI);1-(1-Hydroxy-2-naphthalenyl)ethanone;1-Hydroxy-2-acetylnaphthalene;1-Hydroxy-2-naphthyl methyl ketone;1'-Hydroxy-2-acetonapthone;1'-Hydroxy-2'-acetonaphthone;2-Aceto-1-naphthol;2-Acetyl-1-hydroxynaphthalene;2-Acetyl-1-naphthalenol;2-Acetyl-1-naphthol;NSC 4973;

Article Data 90

Ethanone,1-(1-hydroxy-2-naphthalenyl)- Specification

The Ethanone,1-(1-hydroxy-2-naphthalenyl)-, with CAS registry number 711-79-5, belongs to the following product category: Aromatic Phenols. It has the systematic name of 1-(1-hydroxynaphthalen-2-yl)ethanone. This chemical is a kind of yellow crystalline powder. And the chemical formula of this chemical is C12H10O2.

Physical properties of Ethanone,1-(1-hydroxy-2-naphthalenyl)-: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 157.53; (6)ACD/BCF (pH 7.4): 136.39; (7)ACD/KOC (pH 5.5): 1300.87; (8)ACD/KOC (pH 7.4): 1126.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 56 cm3; (15)Molar Volume: 153.5 cm3; (16)Polarizability: 22.2×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.213 g/cm3; (19)Flash Point: 142.4 °C; (20)Enthalpy of Vaporization: 60.08 kJ/mol; (21)Boiling Point: 334.9 °C at 760 mmHg; (22)Vapour Pressure: 6.37E-05 mmHg at 25°C.

Uses of Ethanone,1-(1-hydroxy-2-naphthalenyl)-: it can be used to produce 1-(2-hydroxy-[1]naphthyl)-3t-phenyl-propenone. This reaction will need reagent ethanolic NaOH.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(1-hydroxy-2-naphthalenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(c2ccc1ccccc1c2O)C
(2)InChI: InChI=1/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
(3)InChIKey: JBGJVMVWYWUVOW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
(5)Std. InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N

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