Grundinformationen
- CAS
954-16-5- Standard-SMILES
Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1- InChIKey
HPAFOABSQZMTHE-UHFFFAOYSA-N- Summenformel
- C16H16O
- Durchschnittliche Molmasse
- 224,3 g/mol
- Monoisotopische Masse
- 224,12011513
Namen und Bezeichner
- Bevorzugter Name
- 2,4,6-Trimethylbenzophenone
- IUPAC
- phenyl-(2,4,6-trimethylphenyl)methanone
- Lokaler Name
- Phenyl-2,4,6-trimethyl-phenyl-methanon
- Englischer Name
- 2,4,6-Trimethylbenzophenone
- Summenformel
- C16H16O
- Molmasse
- 224.3
Namen und Synonyme
2,4,6-Trimethylbenzophenone954-16-5Methanone, phenyl(2,4,6-trimethylphenyl)-Ketone, mesityl phenylBenzophenone, 2,4,6-trimethyl-Mesitylene, 2-benzoyl-NSC 26923DTXSID8061349EC 403-150-9RefChem:821452,4,6-TrimetilbenzofenonDTXCID6048963
Weitere Namen anzeigen
C16H16O2,4,6-Trimethylbenzophenonsodium 4-(1-oxooctoxy)benzenesulfonatephenyl(2,4,6-trimethylphenyl)-methanon
403-150-9619-126-8HPAFOABSQZMTHE-UHFFFAOYSA-NMesityl(phenyl)methanoneMesityl phenyl ketonephenyl-(2,4,6-trimethylphenyl)methanoneBenzoylmesityleneMFCD02685558
Datenbank-Bezeichner
- CAS
954-16-5- PubChem CID
- 70380
- DTXSID
DTXSID8061349- ChEMBL
CHEMBL1731681- EC Number
- 403-150-9、619-126-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 253
Experimentelle und physikochemische Eigenschaften
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials PropertiesDensity
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 35 °C · 35 °C
- Siedepunkt
- 326.5 · 326.5-327 °C(Press: 777 Torr)
- Dichte
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly)
- Aggregatzustand
- Low-Melting Solid
- Farbe
- White to Off-White
- Henry's Law Constant
- 3.8 · 3.8×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Kosmetik-Inhaltsstoffe Funktionen
- LIGHT STABILIZER
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
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 2,4,6-trimethylbenzophenone
Methanone, phenyl(2,4,6-trimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, phenyl(2,4,6-trimethylphenyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8491
2,4,6-Trimethylbenzophenone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheitsdaten
- tsca
- TSCA listed
- risk_code
- 22-36-50/53
- hazard_code
- Xn,N
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesTanning agents not otherwise specified
General Manufacturing Information
Plastics Material and Resin Manufacturing
Methanone, phenyl(2,4,6-trimethylphenyl)-: ACTIVE
Anwendungen
Verwenden2,4,6-Trimethylbenzophenone can be used for a consensus modeling for prediction of estrogenic activity of ingredients commonly used in sunscreen products.
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