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120-46-7

Basic Information
CAS No.: 120-46-7
Name: Dibenzoylmethane
Molecular Structure:
Molecular Structure of 120-46-7 (Dibenzoylmethane)
Formula: C15H12O2
Molecular Weight: 224.25
Synonyms: 1,3-Diphenyl-1,3-propanedione;2-Benzoylacetophenone;AD 158;1,3-Propanedione,1,3-diphenyl-;Karenz DK 2;NSC 406806;NSC 52984;NSC 6266;Phenyl phenacyl ketone;Rhodiastab 83;w-Benzoylacetophenone;
EINECS: 204-398-9
Density: 1.138 g/cm3
Melting Point: 77-79 °C(lit.)
Boiling Point: 357.4 °C at 760 mmHg
Flash Point: 146.9 °C
Solubility: It is Soluble in ether, chloroform, and aqueous sodium hydroxide. Insoluble in water.
Appearance: yellowish-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25
Transport Information:
PSA: 34.14000
LogP: 3.14230
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    120-46-7

    Dibenzoylmethane

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    120-46-7

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    120-46-7

    Dibenzoylmethane

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    Dibenzoylmethane

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  • Dibenzoylmethane 120-46-7 CAS NO.120-46-7

  • Casno:

    120-46-7

    Dibenzoylmethane 120-46-7 CAS NO.120-46-7

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  • Casno:

    120-46-7

    Hot Sale Hs-83

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Reported in EPA TSCA Inventory.

Specification

The Dibenzoylmethane, with the CAS registry number 120-46-7,is also known as 1,3-Diphenyl-1,3-propanedione; 1,3-Diphenylpropane-1,3-dione. It belongs to the product categories of Sensitizer;Slight yellowish crystalline powder. This chemical's molecular formula is C15H12O2 and molecular weight is 224.26.Its EINECS number is 204-398-9. What's more,Its systematic name is 1,3-Diphenylpropane-1,3-dione. It is a yellowish-white powder which is stable,incompatible with strong oxidizing agents.It is easily soluble in alcohol chlorine, chloroform, soluble in sodium hydroxide solution, insoluble in sodium carbonate solution, very slightly soluble in water.It is used as a co-stabilizer for Ca/Zn hydroxy salt stability system, and it is also used to make PVC bottles of mineral water.

Physical properties about Dibenzoylmethane are:
(
1)ACD/LogP:  2.168; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.17; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5):  26.15; (6)ACD/BCF (pH 7.4):  25.44; (7)ACD/KOC (pH 5.5):  359.88; (8)ACD/KOC (pH 7.4):  350.17; (9)#H bond acceptors:  2; (10)#Hbond donors:  0; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.584; (13)Molar Refractivity:  65.88 cm3; (14)Molar Volume:  196.885 cm3; (15)Surface Tension:  46.0820007324219 dyne/cm; (16)Density:  1.139 g/cm3; (17)Flash Point:  146.947 °C; (18)Enthalpy of Vaporization:  60.273 kJ/mol; (19)Boiling Point:  357.365 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1ccc(cc1)C(=O)CC(=O)c2ccccc2;
(2)Std. InChI:InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2;
(3)Std. InChIKey:NZZIMKJIVMHWJC-UHFFFAOYSA-N.

Safety Information of Dibenzoylmethane:
The Diethylenetriamine is danger of cumulative effects and harmful in contact with skin and if swallowed .It may cause sensitization by skin contact .In caseof contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

The toxicity data of Dibenzoylmethane are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.