1-(3-Furyl)-4-methyl-1-pentanone

NSC-348407 · perilla ketone · 1-(3-Furyl)-4-methyl-1-pentanone · 1-(3-FURANYL)-4-METHYL-1-PENTANONE · 1-(furan-3-yl)-4-methylpentan-1-one · 1-Pentanone, 1-(3-furanyl)-4-methyl-

https://huagongshe.com/de/chemical/68381

Molekülstruktur von 1-(3-Furyl)-4-methyl-1-pentanone

Identifikatoren & physikalische Daten

CAS No.	553-84-4
Summenformel	C10H14O2
Durchschnittliche Molmasse	166,22 g/mol
Monoisotopische Masse	166,09937969 g/mol
SMILES	CC(C)CCC(=O)c1ccoc1
InChIKey	LVHLZMUFIYAEQB-UHFFFAOYSA-N
PubChem CID	68381
ChEMBL	CHEMBL469753
ChEBI	CHEBI:195771
EC No.	107-772-9
DTXSID	DTXSID10203828

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	30,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	12
Formalladung	0
Komplexität	152
LogP (Verteilungskoeffizient)	2.76
Siedepunkt	223.00 to 225.00 °C. @ 760.00 mm Hgbp 196°
Dichte	d1515 0.9920
Brechungsindex	nD20 1.4781
Lagerbedingungen	Amber Vial, Refrigerator, Under inert atmosphere
Löslichkeit	Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)
Aggregatzustand	Oil
Farbe	Light-yellow liquid
Stabilität	Light Sensitive
InChI	InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKey	LVHLZMUFIYAEQB-UHFFFAOYSA-N
SMILES	C(C1C=COC=1)(=O)CCC(C)C
LogP (Verteilungskoeffizient)	2.760
CAS Datenbank	553-84-4

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Toxizität	LD50 in female, male mice, male rats (mg/kg): 2.5, 6, 10 i.p. (Wilson)

Anwendungen & Verwendung

Verwenden

Perilla Ketone is an oil from Perilla frutescens which is very toxic as it is a potent pulmonary edemagenic agent for laboratory animals and livestock. This compound is commonly used in oriental foods.