Butyrophenon

Butyrophenone

HCID 10315CAS 495-40-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCC(=O)c1ccccc1
InChIKey
FFSAXUULYPJSKH-UHFFFAOYSA-N
Summenformel
C10H12O
Durchschnittliche Molmasse
148,2 g/mol
Monoisotopische Masse
148,088815

Überblick

Butyrophenone is synthetic agents containing the phenyl-1-butanone group, most Butyrophenones are neuroleptic (antipsychotic) drugs, such as haloperidol, droperidol, or azaperone, that control schizophrenic symptoms (hallucinations, delusions, dementia). Most antipsychotic agents interfere with neurotransmitter functions, usually blocking dopamine receptors, and induce behavioral, endocrine, motor-kinetic effects. (NCI04)

Namen und Bezeichner

Bevorzugter Name
Butyrophenone
IUPAC
1-phenylbutan-1-one
Lokaler Name
Butyrophenon
Englischer Name
Butyrophenone
Summenformel
C10H12O
Molmasse
148.2

Namen und Synonyme

BUTYROPHENONE1-phenylbutan-1-onen-Butyrophenone1-Butanone, 1-phenyl-Phenyl propyl ketone1-Phenyl-1-butanonePropyl phenyl ketoneDTXSID3047059UNII-186I11WB5B186I11WB5BNSC 8463NSC-8463
Weitere Namen anzeigen
Butanophenone1-phenyl-1-butanonButerophenoneButhrophenoneButyrylbenzene
EINECS 207-799-7AI3-02062DTXCID1027059nButyrophenone1Phenyl1butanone1Phenylbutan1one1Butanone, 1phenylRefChem:122373

Datenbank-Bezeichner

CAS
495-40-9
PubChem CID
10315
DTXSID
DTXSID3047059
ChEMBL
CHEMBL193524
UNII
186I11WB5B
EC Number
207-799-7
Nikkaji
J43.576G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Butyrophenone) -> IFRA transparency List
LogP2.66
Flavoring AgentsEU Flavoring substances
Vapor Pressure0.08 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
11 · 11-13 °C(lit.)
Siedepunkt
228 · 228-230 °C(lit.)
Dichte
1.021 g/mL · 1.021 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.520(lit.)
Flammpunkt
192 °F · 192 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.

Danger

H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1-Butanone, 1-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Butanone, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanone, 1-phenyl-: Human health tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Sens. 1 (31.8%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29143900
risk_code
41-43
hazard_code
Xi
safety_code
26-36/37/39-24/25-23

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing Information1-Butanone, 1-phenyl-: ACTIVE

Anwendungen

VerwendenButyrophenone is used as intermediates of Liquid Crystals

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Zugehörige Reaktionen

27
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…