Identification and Related Records
- 【Name】
- Dibenzoylmethane
- 【Iupac name】
- 1,3-diphenylpropane-1,3-dione
- 【Registry number】
- 120-46-7 (CAS DataBase Reference)
- 【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(EC#)】
- 204-398-9
- 【Molecular Formula】
- C15H12O2 (Products with the same molecular formula)
- 【Molecular Weight】
- 224.26
- 【Inchi】
- InChI=1/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
- 【InChIKey】
- NZZIMKJIVMHWJC-UHFFFAOYSA-N
- 【Canonical SMILES】
- C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
120-46-7.mol
Chemical and Physical Properties
- 【Appearance】
- yellowish-white powder
- 【Density】
- 219
- 【Melting Point】
- 75-79℃
- 【Boiling Point】
- 219-221℃ (18 mmHg)
- 【Vapour】
- 1.63E-06mmHg at 25°C
- 【Refractive Index】
- 1.623
- 【Flash Point】
- 146.9°C
- 【Solubilities】
- Insoluble
- 【Stability】
- Stable. Incompatible with strong oxidizing agents.
- 【HS Code】
- 29143900
- 【Storage temp】
- Store at RT.
- 【Computed Properties】
- Molecular Weight:224.25458 [g/mol]
Molecular Formula:C15H12O2
XLogP3-AA:3.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:224.08373
MonoIsotopic Mass:224.08373
Topological Polar Surface Area:34.1
Heavy Atom Count:17
Formal Charge:0
Complexity:243
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:67
Safety and Handling
- 【Hazard Codes】
- Xi: Irritant;
- 【Risk Statements】
- R36/37/38
- 【Safety Statements 】
- S24/25
- 【Hazard Note】
-
Irritant
- 【Safety】
-
Hazard Codes:?
Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: TZ1930000
Hazard Note: Irritant
HS Code: 29143900
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
- 【Transport】
- 25kgs
- 【Specification】
-
?Dibenzoylmethane (CAS NO.120-46-7) is also named as 1,3-Diphenyl-1,3-propanedione ; 2-Benzoylacetophenone ; AI3-19022 ; BRN 0514910 ; CCRIS 8445 ;?Karenzu DK2 ; NSC 6266 ; Phenyl phenacyl ketone ; Rhodiastab 83 ; omega-Benzoylacetophenone?.?Dibenzoylmethane (CAS NO.120-46-7) is?yellowish-white powder. It is easily soluble in alcohol chlorine, chloroform, soluble in sodium hydroxide solution, insoluble in sodium carbonate solution, very slightly soluble in water.
- 【Report】
-
Reported in EPA TSCA Inventory.
China
United States
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