Dibenzoylmethane (120-46-7),Dibenzoylmethane (120-46-7) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Dibenzoylmethane
CAS No.:
120-46-7
Molecular Structure:
Formula:
C₁₅H₁₂O₂
Molecular Weight:
224.25
Deleted CAS:
61346-73-4
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
Appearance:
yellowish-white powder
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety Description:
22-24/25 Details

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Chemistry

IUPAC Name: 1,3-Diphenylpropane-1,3-dione
Molecular Formula: C₁₅H₁₂O₂
Molecular Weight: 224.25 g/mol
Molecular structure of Dibenzoylmethane (CAS NO.120-46-7):

Density: 1.138 g/cm³
Melting Point: 77-79 °C(lit.)
Boiling Point: 357.4 °C at 760 mmHg
Flash Point: 146.9 °C
Storage Temp.: store at RT.
Stability: stable. incompatible with strong oxidizing agents.
Index of Refraction: 1.583
Molar Refractivity: 65.87 cm³
Molar Volume: 196.8 cm³
Surface Tension: 46 dyne/cm
XLogP3-AA: 3.1
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
Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
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
InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N
EINECS: 204-398-9
Product Categories: Color Former & Related Compounds; Functional Materials; Sensitizer

Uses

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

Production

Dibenzoylmethane is prepared by benzyl acetyl benzene .

Toxicity Data With Reference

orl-rat LD :>500 mg/kg

NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),28.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Irritant 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.

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.