1,3-Diphenylpropan-1,3-dion
Dibenzoylmethane
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Grundinformationen
- CAS
120-46-7- Standard-SMILES
O=C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-N- Summenformel
- C15H12O2
- Durchschnittliche Molmasse
- 224,25 g/mol
- Monoisotopische Masse
- 224,08372962
Namen und Bezeichner
- Bevorzugter Name
- Dibenzoylmethane
- IUPAC
- 1,3-diphenylpropane-1,3-dione
- Lokaler Name
- 1,3-Diphenylpropan-1,3-dion
- Englischer Name
- Dibenzoylmethane
- Summenformel
- C15H12O2
- Molmasse
- 224.25
Namen und Synonyme
Dibenzoylmethane120-46-71,3-Diphenylpropane-1,3-dione1,3-DIPHENYL-1,3-PROPANEDIONE1,3-Propanedione, 1,3-diphenyl-2-BenzoylacetophenonePhenyl phenacyl ketoneomega-BenzoylacetophenoneRhodiastab 83Karenzu DK2DTXSID3041247ANS7ME8OKC
Weitere Namen anzeigen
DBM1,3-Diphenylpropanedione1,3-diphenyl-3-propanedionekarenzudk2phenylphenacylketoneDBM83
NSC-6266DTXCID1021247CHEBI:75417204-398-9RefChem:132859GAMMA-HYDROXYCHALKONE1,3-Diphenyl-propane-1,3-dioneDibenzoyl-methane
Datenbank-Bezeichner
- CAS
120-46-7- PubChem CID
- 8433
- DTXSID
DTXSID3041247- ChEMBL
CHEMBL371523- ChEBI
CHEBI:75417- UNII
- ANS7ME8OKC
- EC Number
- 204-398-9
- Nikkaji
- J10.072B
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 243
Experimentelle und physikochemische Eigenschaften
Physical Description
Large Crystals; Dry Powder
Solid; [Merck Index] Light yellow crystalline powder; [Alfa Aesar MSDS]
Collision Cross Section165.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041247]；154.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3041247]
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-79 °C(lit.)
- Siedepunkt
- 219 · 219-221 °C18 mm Hg(lit.)
- Dichte
- 0.8 g/cm3 · 0.800 g/cm3
- Dampfdruck
- 0.01 Pa · 0.01Pa at 20℃
- Brechungsindex
- 1.66 · 1.6600 (estimate)
- Flammpunkt
- 219 · 219-221°C/18mm
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 32.7% (84 of 257) of reports.
Warning
H317 (66.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 257 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 84 of 257 reports by companies.；There are 5 notifications provided by 173 of 257 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Propanedione, 1,3-diphenyl-
1,3-Propanedione, 1,3-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanedione, 1,3-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11371
1,3-Propanedione, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses changes in liver and uterine weights in 2-week constant oral studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Sens. 1 (66.1%)
Chemie und Industrie
Verwendung und Herstellung
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 700,000 - <850,000 lb；2022: 850,000 - <1,000,000 lb；2021: 550,000 - <700,000 lb；2020: 700,000 - <850,000 lb
Consumer UsesHeat stabilizer；Other
Industry UsesProcessing aids not otherwise specified；Heat stabilizer；Other
Use Classification
Plastics -> Other stabilisers
Plastics -> Polymer Type -> PVC (soft); PVC (rigid); PET
General Manufacturing Information
Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Product Manufacturing
1,3-Propanedione, 1,3-diphenyl-: ACTIVE
Anwendungen
OccurrenceDibenzoylmethane(DBM) is a 1,3-diketone derivative of acetylacetone that has both methyl groups replaced with phenyl groups.Although smaller in size and lacking hydroxyl and methoxy groups，DBM resembles the turmeric spice curcumin (CUR),a diferuloylmethane. Both molecules are metal-chelating agents，contain a B-diketone flanked by two aryl groups,and exhibit anti-proliferative and anticarcinogenic activity. In addition to sharing structural similarity with DBM,CUR,which is also a naturally occurring compound is found in the plant Curcuma longa and has numerous medicinal uses.DBM and its many naturally occurring derivatives are minor constituentsof licorice. DBM has been isolated from licorice root extracts and otherspecies of Glycyrrhiza.
VerwendenDibenzoylmethane is a new kind of PVC heat stabilizer, it has better transparency, nontoxic and odorless. In case of combined use with Calcium/Zinc, Barium/Zin and other heat stabilizer, it can greatly improve the initial color, transparency, long term stability of PVC, and also can improve the precipitation and “zinc burning” problem during the process. It has very good synergy with zinc soaps, and can protect the PVC color. This material can absorb UV at 290nm, which has the effect as light stabilizer and act as long term stabilizer for PVC products.
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