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Desoxyanisoin

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Desoxyanisoin

EINECS 204-396-8
CAS No. 120-44-5 Density 1.115 g/cm3
PSA 35.53000 LogP 3.12920
Solubility Sparingly soluble in water. Melting Point 110-112 °C(lit.)
Formula C16H16O3 Boiling Point 415.6 °C at 760 mmHg
Molecular Weight 256.301 Flash Point 196.9 °C
Transport Information N/A Appearance white to slightly yellow crystals
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 120-44-5 (Desoxyanisoin) Hazard Symbols N/A
Synonyms

Acetophenone,4'-methoxy-2-(p-methoxyphenyl)- (6CI,7CI,8CI);1,2-Bis(4-methoxyphenyl)ethanone;1,2-Bis(p-methoxyphenyl)ethanone;1,2-Di-p-anisylethanone;4,4'-Dimethoxydeoxybenzoin;4-Methoxybenzyl4-methoxyphenyl ketone;4'-Methoxy-2-(4-methoxyphenyl)acetophenone;4'-Methoxy-2-(p-methoxyphenyl)acetophenone;Deoxy-p-anisoin;Deoxyanisoin;Desoxy-p-anisoin;NSC 26660;NSC 8793;p-Methoxybenzyl p-methoxyphenyl ketone;a-(p-Methoxyphenyl)-p-methoxyacetophenone;

Article Data 90

Desoxyanisoin Specification

The Ethanone,1,2-bis(4-methoxyphenyl)-, with its CAS registry number 120-44-5, has the IUPAC name of 1,2-bis(4-methoxyphenyl)ethanone. And it has the molecular formula of C16H16O3 and the molecular weight of 256.3. For being a kind of white to slightly yellow crystals, it belongs to the product categories which include Aromatic Ketones (substituted). When you are using this chemical, you should avoid contacting with skin and eyes. In addition, when store it, you should keep it in the dry and well-ventilated place, away from the strong acid, and the combustion sources.

The characteristics of Ethanone,1,2-bis(4-methoxyphenyl)- are as follows: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.93; (6)ACD/BCF (pH 7.4): 150.93; (7)ACD/KOC (pH 5.5): 1262.36; (8)ACD/KOC (pH 7.4): 1262.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 74.12 cm3; (15)Molar Volume: 229.6 cm3; (16)Polarizability: 29.38×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 66.87 kJ/mol; (21)Boiling Point: 415.6 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-07 mmHg at 25°C; (23)Exact Mass: 256.109944; (24)MonoIsotopic Mass: 256.109944; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 19; (27)Complexity: 274; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Acceptor Count: 3; (30)Feature 3D Ring Count: 2.

Use of this chemical: Ethanone,1,2-bis(4-methoxyphenyl)- could react to produce a-bromo-4,4'-dimethoxy-deoxybenzoin, and this reaction could happen in the reagent of CCl4 and bromine.

Production method of this chemical: 2-hydroxy-1,2-bis-(4-methoxy-phenyl)-ethanone could react to produce Ethanone,1,2-bis(4-methoxyphenyl)-, and this reaction could happen in the reagent of Sn, cc. HCl.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
(2)InChI: InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
(3)InChIKey: SICBLYCPRWNHHP-UHFFFAOYSA-N 

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