(Hydroxycyclohexyl)(phenyl)keton
1-Hydroxycyclohexyl phenyl ketone
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Grundinformationen
- CAS
947-19-3- Standard-SMILES
O=C(c1ccccc1)C1(O)CCCCC1- InChIKey
QNODIIQQMGDSEF-UHFFFAOYSA-N- Summenformel
- C13H16O2
- Durchschnittliche Molmasse
- 204,26 g/mol
- Monoisotopische Masse
- 204,11502975
Überblick
a photoinitiator mutagen
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxycyclohexyl phenyl ketone
- IUPAC
- (1-hydroxycyclohexyl)-phenylmethanone
- Lokaler Name
- (Hydroxycyclohexyl)(phenyl)keton
- Englischer Name
- 1-Hydroxycyclohexyl phenyl ketone
- Summenformel
- C13H16O2
- Molmasse
- 204.26
Namen und Synonyme
947-19-31-Hydroxycyclohexyl phenyl ketoneHydroxycyclohexyl phenyl ketoneMethanone, (1-hydroxycyclohexyl)phenyl-E7JVN2243XNSC-401908RefChem:7894591-HCHPK213-426-9(1-Hydroxycyclohexyl)(phenyl)methanone1-Benzoylcyclohexanol(1-hydroxycyclohexyl)-phenylmethanone
Weitere Namen anzeigen
184HCPKphotoinitiator184(1-hydroxycyclohexyl)phenyl-methanonUI802PI 184
1-benzoylcyclohexan-1-olIrgacure 184MFCD000595611-benzoyl-1-hydroxycyclohexaneDTXSID90447481-CYCLOHEXYLHYDROXYPHENYLKETONE5'-S-(3-Aminopropyl)-5'-thio-adenosine Sulfate1-hydroxy-1-cyclohexyl phenyl ketone
Datenbank-Bezeichner
- CAS
947-19-3- PubChem CID
- 70355
- DTXSID
DTXSID9044748- UNII
- E7JVN2243X
- EC Number
- 213-426-9
- Nikkaji
- J39.368A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 223
Experimentelle und physikochemische Eigenschaften
Chemical ClassesIndustrial compound
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; Large Crystals; Liquid; Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 47 · 47-50 °C(lit.)
- Siedepunkt
- 175 °C15 · 175 °C15 mm Hg(lit.)
- Dichte
- 1 · 1,17 g/cm3
- Dampfdruck
- 0.02 Pa · 0.02Pa at 20℃
- Brechungsindex
- 1.517 · 1.5170 (estimate)
- Flammpunkt
- 150 °C · >150°C
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.23 · 13.23±0.20(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- Slightly soluble in water (1108 mg/L at 25°C). Soluble in acetone, butyl acetate, methanol and toluene.
- BRN
- 2330973 · 2330973
- Kosmetik-Inhaltsstoffe Funktionen
- BINDING
- InChI
- 1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
- InChIKey
- QNODIIQQMGDSEF-UHFFFAOYSA-N
- SMILES
- OC1(CCCCC1)C(=O)c2ccccc2
- LogP
- 2.81 at · 2.81 at 25℃
- CAS Datenbank
- 947 · 947-19-3(CAS DataBase Reference)
- NIST chemische Informationen
- Methanone, (1-hydroxycyclohexyl)phenyl-(947-19-3)
- EPA chemische Informationen
- Methanone, (1-hydroxycyclohexyl)phenyl- (947-19-3)
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 98% (2692 of 2747) of all reports.
Not Classified
Aggregated GHS information provided per 2747 reports by companies from 9 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Methanone, (1-hydroxycyclohexyl)phenyl-
Methanone, (1-hydroxycyclohexyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (1-hydroxycyclohexyl)phenyl- 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: 20-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/1936
Methanone, (1-hydroxycyclohexyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29144000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 1 consumer products that contain Methanone, (1-hydroxycyclohexyl)phenyl- in the following categories is provided:
General Manufacturing Information
Printing Ink Manufacturing
Methanone, (1-hydroxycyclohexyl)phenyl-: ACTIVE
Anwendungen
Verwenden1-Hydroxycyclohexyl phenyl ketone is used as photoinitiator in UV-radiation-curable technologies which are used in various applications and industry branches such as printing and packaging, coatings, furniture and flooring and adhesives.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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