Grundinformationen
- Standard-SMILES
CCCC(=O)c1ccc(O)cc1- InChIKey
GFBLPULLSAPXDC-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Namen und Bezeichner
- Bevorzugter Name
- 1-Butanone, 1-(4-hydroxyphenyl)-
- IUPAC
- 1-(4-hydroxyphenyl)butan-1-one
- Lokaler Name
- 4'-Hydroxybutyrophenon
- Englischer Name
- 1-(4-Hydroxyphenyl)-1-butanone
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
1009-11-64'-Hydroxybutyrophenone1-Butanone, 1-(4-hydroxyphenyl)-p-Hydroxybutyrophenone4-ButyrylphenolButyrophenone, 4'-hydroxy-p-Hydroxyphenyl propyl ketoneNSC 17548EINECS 213-766-8DTXSID5061405RefChem:430914DTXCID6032562
Weitere Namen anzeigen
4-HYDROXYBUTANOPHENONEPROPYL 4-H4-Butanoylphenolp-Hydroxybutanone1-(4-Hydroxyphenyl)-
Butyrophenone, 4'-hydroxy-(8CI)213-766-81-(4-Hydroxyphenyl)butan-1-one1-(4-Hydroxyphenyl)-1-butanonep-ButyrylphenolMFCD00020173CHEMBL2141501-[4-Hydroxyphenyl]-1-butanone
Datenbank-Bezeichner
- CAS
1009-11-6- PubChem CID
- 66092
- DTXSID
DTXSID5061405- ChEMBL
CHEMBL214150- EC Number
- 213-766-8
- Nikkaji
- J217.124D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 146
Physikochemische Eigenschaften
- Schmelzpunkt
- 93 °C · 93°C
- Siedepunkt
- 174 °C · 174 °C / 40mmHg
- Dichte
- 1.0435 g/cm3 · 1.0435 g/cm3(Temp: 24 °C)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 8.05 · 8.05±0.15(Predicted)
- Farbe
- White to Yellow to Orange
- InChI
- InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3
- InChIKey
- GFBLPULLSAPXDC-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1)(=O)CCC
- CAS Datenbank
- 1009 · 1009-11-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)
- EPA chemische Informationen
- 1 · 1-Butanone, 1-(4-hydroxyphenyl)- (1009-11-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2914500090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Butanone, 1-(4-hydroxyphenyl)-: INACTIVE
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