Valerophenon

Valerophenone

HCID 66093
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Grundinformationen

CAS
1009-14-9
Standard-SMILES
CCCCC(=O)c1ccccc1
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
Summenformel
C11H14O
Durchschnittliche Molmasse
162,23 g/mol
Monoisotopische Masse
162,10446507

Namen und Bezeichner

Bevorzugter Name
Valerophenone
IUPAC
1-phenylpentan-1-one
Lokaler Name
Valerophenon
Englischer Name
Valerophenone
Summenformel
C11H14O
Molmasse
162.23

Namen und Synonyme

Valerophenone1-phenylpentan-1-one1009-14-9Butyl phenyl ketone1-Pentanone, 1-phenyl-PentanophenoneF27Q043NT1NSC-58959DTXSID0061406CHEBI:36812RefChem:193558DTXCID1032563
Weitere Namen anzeigen
Methylpropiophenonearomatic ketonen-ValerophenoneValerophenone 99%NSC 58959Valerophenone 99%erophenone
213-767-31-Phenyl-1-pentanoneMFCD000094801-phenyl-pentan-1-onePentanoylbenzeneSB-270466; n-butyl phenyl ketonen-Butyl phenyl ketoneUNII-F27Q043NT1

Datenbank-Bezeichner

CAS
1009-14-9
PubChem CID
66093
DTXSID
DTXSID0061406
ChEMBL
CHEMBL372105
ChEBI
CHEBI:36812
UNII
F27Q043NT1
EC Number
213-767-3
Nikkaji
J30.878A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Boiling Point245.00 °C. @ 760.00 mm Hg
Melting Point-9.4 °C
Physical DescriptionLiquid
Kovats Retention Index · 2 Einträge

1327

1359.5；1355.6；1365.7；1366.2；1372.6；1373.2；1378.7；1372；1374；1374；1374；1374；1375；1375；1375；1376；1376；1378；1380；1364

Physikochemische Eigenschaften

Schmelzpunkt
-9 °C · -9 °C
Siedepunkt
244 · 244-245 °C (lit.)
Dichte
0.975 g/mL · 0.975 g/mL at 20 °C (lit.)
Brechungsindex
20 · n20/D 1.5143(lit.)
Flammpunkt
217 °F · 217 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.；There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 Einträge

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2A (20%)；STOT SE 3 (20%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29143990
risk_code
36/37/38
hazard_code
Xi
safety_code
22-24/25-36-26

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

General Manufacturing Information1-Pentanone, 1-phenyl-: ACTIVE

Anwendungen

VerwendenValerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.

Vor- und nachgelagerte Produkte

Anbieter100 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Valerophenone is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has a role as a volatile oil component and a plant metabolite.

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