1-Hydroxycyclohexyl phenyl ketone (HCID 70355)

Overview

a photoinitiator mutagen

Names & identifiers

Preferred name: 1-Hydroxycyclohexyl phenyl ketone
IUPAC: (1-hydroxycyclohexyl)-phenylmethanone
English name: 1-Hydroxycyclohexyl phenyl ketone
Molecular formula: C13H16O2
Molecular weight: 204.26

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 947-19-3
PubChem CID: 70355
DTXSID: DTXSID9044748
UNII: E7JVN2243X
EC Number: 213-426-9
Nikkaji: J39.368A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Experimental & physicochemical properties

Chemical ClassesIndustrial compound

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder; Large Crystals; Liquid; Liquid

Physicochemical properties

Melting point: 47 · 47-50 °C(lit.)
Boiling point: 175 °C15 · 175 °C15 mm Hg(lit.)
Density: 1 · 1,17 g/cm3
vapor pressure: 0.02 Pa · 0.02Pa at 20℃
refractive index: 1.517 · 1.5170 (estimate)
Flash point: 150 °C · >150°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
form: Solid
pka: 13.23 · 13.23±0.20(Predicted)
color: White to Off-White
Water Solubility: Slightly soluble in water (1108 mg/L at 25°C). Soluble in acetone, butyl acetate, methanol and toluene.
BRN: 2330973 · 2330973
Cosmetics Ingredients Functions: 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 DataBase Reference: 947 · 947-19-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 JVN2243X · E7JVN2243X
NIST Chemistry Reference: Methanone, (1-hydroxycyclohexyl)phenyl-(947-19-3)
EPA Substance Registry System: Methanone, (1-hydroxycyclohexyl)phenyl- (947-19-3)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 280 i-P305+P351+P338-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280i-P305+P351+P338-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26-24/25
WGK Germany: -
TSCA: TSCA listed
HS Code: 29144000 · 29144000
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 4 items

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

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: -
tsca: TSCA listed
hs_code: 29144000
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P280i-P305+P351+P338-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Pharmacology

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.

Uses & manufacturing

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 items

Printing Ink Manufacturing

Methanone, (1-hydroxycyclohexyl)phenyl-: ACTIVE

Applications · 2 items

Uses1-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.

General Description1-Hydroxycyclohexyl phenyl ketone is a photoinitiator (PI) molecule that can be used in chain transfer polymerization. PI can be incorporated in the polymeric matrix by the addition of a chromophore as a pendant group. It may be used as a component that facilitates UV curing and also as a base material in the formation of the block and grafted copolymers.