Grundinformationen
- Standard-SMILES
CC(C)(O)C(=O)c1ccc(OCCO)cc1- InChIKey
GJKGAPPUXSSCFI-UHFFFAOYSA-N- Summenformel
- C12H16O4
- Durchschnittliche Molmasse
- 224,25 g/mol
- Monoisotopische Masse
- 224,10485899
Überblick
2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone
- IUPAC
- 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
- Englischer Name
- 2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone
- Summenformel
- C12H16O4
- Molmasse
- 224.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
106797-53-9- PubChem CID
- 86266
- DTXSID
DTXSID6044777- ChEMBL
CHEMBL3188617- ChEBI
CHEBI:170047- EC Number
- 600-777-1
- Nikkaji
- J640.171F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 229
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 88 · 88-90 °C(lit.)
- Siedepunkt
- 405 · 405.0±25.0 °C(Predicted)
- Dichte
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 12.96 · 12.96±0.29(Predicted)
- Farbe
- White to Light yellow
- Wasserlöslichkeit
- 7.6 g/L · 7.6g/L at 25℃
- Kosmetik-Inhaltsstoffe Funktionen
- REDUCING
- InChI
- InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
- InChIKey
- GJKGAPPUXSSCFI-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OCCO)C=C1)(=O)C(O)(C)C
- LogP
- 0.84 at · 0.84 at 23℃
- CAS Datenbank
- 106797 · 106797-53-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- (106797-53-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H412 (100%): 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 2139 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-
1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- 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.
1-Propanone, 2-hydroxy-1-4-(2-hydroxyethoxy)phenyl-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
810 [mg/m3]
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29145090
- RTECS-Nr.
- UC2976000
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-: ACTIVE
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