Grundinformationen
- Standard-SMILES
CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1- InChIKey
LWRBVKNFOYUCNP-UHFFFAOYSA-N- Summenformel
- C15H21NO2S
- Durchschnittliche Molmasse
- 279,4 g/mol
- Monoisotopische Masse
- 279,12929991
Überblick
a photo-initiator
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanone
- IUPAC
- 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
- Lokaler Name
- 2-Methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-on
- Englischer Name
- 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
- Summenformel
- C15H21NO2S
- Molmasse
- 279.4
Namen und Synonyme
71868-10-52-Methyl-4'-(methylthio)-2-morpholinopropiophenoneCACCURE 907DTXSID8038857Irganox 907722CLJ6H6K1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-2-Methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-oneDTXCID60188572-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)-IR-907
Weitere Namen anzeigen
907Irgacure 907MMMPOmnirad 907YF-PI 9072-methyl-1-(4-methylthio)2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-Propanone
2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanoneMTMP cpdMTMPPRefChem:475438400-600-6615-621-82-Methyl-1-(4-(methylthio)phenyl)-2-morpholinopropan-1-one2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
Datenbank-Bezeichner
- CAS
71868-10-5- PubChem CID
- 92387
- DTXSID
DTXSID8038857- ChEMBL
CHEMBL1411716- UNII
- 722CLJ6H6K
- EC Number
- 400-600-6、615-621-8
- Nikkaji
- J73.113G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 54,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 305
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Synthetic Cathinones
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP3.49
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; Large Crystals; Liquid
Collision Cross Section166.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8038857]
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-76 °C(lit.)
- Siedepunkt
- 210 °C/76mmHg · 210°C/76mmHg(lit.)
- Dichte
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Flammpunkt
- 165 ℃ · 165℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 162 in · 162 in mg/100g standard fat at 20 ℃
- Aggregatzustand
- powder to crystal
- pka
- 4.77 · 4.77±0.10(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 17.9 mg/L · 17.9mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- BINDING
- InChI
- 1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
- InChIKey
- LWRBVKNFOYUCNP-UHFFFAOYSA-N
- SMILES
- CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2
- LogP
- 3.09 at · 3.09 at 25℃
- CAS Datenbank
- 71868 · 71868-10-5(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- (71868-10-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
Hazard Traits - Reproductive Toxicity
1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- 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: 22-04-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1574
Substance: 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one
Other Safety InformationEvaluation - 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
Hazard Classes and Categories
Acute Tox. 4 (99.4%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Reproductive toxicity - Category 1B
Repr. 1B
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29349990
- risk_code
- 22-51/53
- hazard_code
- Xn,N
- safety_code
- 22-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Repr. 1B
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPhotosensitive agent
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Paint and Coating Manufacturing
1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-: ACTIVE
Anwendungen
VerwendenPhotoinitiator-907 is an efficient UV photoinitiator for initiating UV polymerization of unsaturated prepolymer systems.
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