Grundinformationen
- CAS
606-28-0- Standard-SMILES
COC(=O)c1ccccc1C(=O)c1ccccc1- InChIKey
NQSMEZJWJJVYOI-UHFFFAOYSA-N- Summenformel
- C15H12O3
- Durchschnittliche Molmasse
- 240,25 g/mol
- Monoisotopische Masse
- 240,07864424
Überblick
Methyl 2-benzoylbenzoate is a member of benzophenones.
Namen und Bezeichner
- Bevorzugter Name
- Methyl o-benzoylbenzoate
- IUPAC
- methyl 2-benzoylbenzoate
- Lokaler Name
- Methyl-2-benzoylbenzoat
- Englischer Name
- Methyl 2-benzoylbenzoate
- Summenformel
- C15H12O3
- Molmasse
- 240.25
Namen und Synonyme
Methyl 2-benzoylbenzoate606-28-0Methyl o-benzoylbenzoateBenzoic acid, o-benzoyl-, methyl estero-(Methoxycarbonyl)benzophenoneBenzoic acid, 2-benzoyl-, methyl esterDTXSID2060549AI3-00516NSC-3797XUP7S9NT59RefChem:565521DTXCID8042840
Weitere Namen anzeigen
OMBBOBMMBBPI-OMBBYF-PI OMBBIHT-PI OMBBOMNIRADOMBBHRcure-OMBBPHOTOCURE 55
210-112-3Methyl-2-benzoylbenzoate2-Benzoylbenzoic Acid Methyl Ester2-Benzoylbenzoic acid, methyl estermethyl 2-(phenylcarbonyl)benzoateBenzoic acid, benzoyl-, methyl ester2-(Methoxycarbonyl)benzophenoneMFCD00017187
Datenbank-Bezeichner
- CAS
606-28-0- PubChem CID
- 11816
- DTXSID
DTXSID2060549- ChEMBL
CHEMBL3629239- ChEBI
CHEBI:191129- UNII
- XUP7S9NT59
- EC Number
- 210-112-3
- Nikkaji
- J36.119D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 305
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDiamagnetic susceptibility
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; CBI; Large Crystals
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-53 °C (lit.)
- Siedepunkt
- 352 °C · 352 °C
- Dichte
- 1 · 1,69 g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.574 · 1.5740 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Insoluble in water
- Aggregatzustand
- powder to crystal
- Farbe
- White to Orange to Green
- Wasserlöslichkeit
- 117.7 mg/L · 117.7mg/L at 20℃
- InChI
- 1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
- InChIKey
- NQSMEZJWJJVYOI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccccc1C(=O)c2ccccc2
- LogP
- 2.8 at · 2.8 at 25℃
- CAS Datenbank
- 606 · 606-28-0(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzoic acid, 2-benzoyl-, methyl ester(606-28-0)
- EPA chemische Informationen
- Methyl o-benzoylbenzoate (606-28-0)
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 3.2% (74 of 2297) of reports.
H412 (93.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2297 reports by companies from 8 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 2-benzoyl-, methyl ester
Benzoic acid, 2-benzoyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-benzoyl-, methyl ester 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)
REACH registered substance: Methyl 2-benzoylbenzoate (EC: 210-112-3)
Benzoic acid, 2-benzoyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (93.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29183000
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesPigment
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Printing and Related Support Activities
Benzoic acid, 2-benzoyl-, methyl ester: ACTIVE
Anwendungen
VerwendenMethyl 2-benzoylbenzoate is used as an anti-ultraviolet absorber and a preservative for food and beverages.
Darstellung
synthetischeMethyl-2-benzoylbenzoate can be synthesized from the reaction between corresponding 2-substituted benzoic acid and thionyl chloride in methanol.
Vor- und nachgelagerte Produkte
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