1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-

HCID 41633CAS 55814-54-5
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Grundinformationen

Standard-SMILES
CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIKey
ITEMAFJPIQQQMO-UHFFFAOYSA-N
Summenformel
C17H18O2
Durchschnittliche Molmasse
254,32 g/mol
Monoisotopische Masse
254,13067981

Namen und Bezeichner

Bevorzugter Name
1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-
IUPAC
2,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one
Englischer Name
TERT-BUTYL 4-PHENOXYPHENYL KETONE)
Summenformel
C17H18O2
Molmasse
254.32

Namen und Synonyme

55814-54-51-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-KSX92RLB294-PHENOXY-PIVALOPHENONEtert-Butyl 4-phenoxyphenyl ketoneDTXSID402044092,2-Dimethyl-1-(4-phenoxyphenyl)-1-propanoneRefChem:436312DTXCID90126900684-352-62,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one4'-Phenoxypivalophenone
Weitere Namen anzeigen
tert-Butyl p-phenoxyphenyl ketoneα,α-Dimethyl-4'-phenoxypropiophenone2,2-Dimethyl-3-(p-phenoxyphenyl)propan-3-one
2,2-Dimethyl-1-(4-phenoxy-phenyl)-propan-1-oneTERT-BUTYL 4-PHENOXYPHENYL KETONE)MFCD00009856p-phenoxypivalophenoneUNII-KSX92RLB29SCHEMBL8357803SBB057779AKOS009157341

Datenbank-Bezeichner

CAS
55814-54-5
PubChem CID
41633
DTXSID
DTXSID40204409
UNII
KSX92RLB29
EC Number
684-352-6
Nikkaji
J236.401H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
52 · 52-54 °C(lit.)
Siedepunkt
175 °C/3 · 175 °C/3 mmHg(lit.)
Dichte
1.0621 · 1.0621 (rough estimate)
Brechungsindex
1.589 · 1.5890 (estimate)
Flammpunkt
113 °C · 113 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

Chemie und Industrie

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