(Hydroxycyclohexyl)(phenyl)keton

1-Hydroxycyclohexyl phenyl ketone

HCID 70355CAS 947-19-3

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Grundinformationen

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 Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 37,3 Å²
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

GHS-Klassifizierung

GHS Classification · 3 Einträge

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 · 4 Einträge

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 · 2 Einträge

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.