Dibutyloxalat

BUTYL OXALATE · DIBUTYL OXALATE · DibutylOxalate>Butyl ethanedioate · DI-N-BUTYL OXALATE · Oxalic acid dibutyl · Dibutyl oxalate,99% · Dibutyl oxalate 99% · Dibutylethanedionate

https://huagongshe.com/de/chemical/16306

Identifikatoren & physikalische Daten

CAS No.	2050-60-4
Summenformel	C10H18O4
Durchschnittliche Molmasse	202,25 g/mol
Monoisotopische Masse	202,12050905 g/mol
SMILES	CCCCOC(=O)C(=O)OCCCC
InChIKey	JKRZOJADNVOXPM-UHFFFAOYSA-N
PubChem CID	16306
ChEMBL	CHEMBL3185643
ChEBI	CHEBI:169625
EC No.	218-092-8
DTXSID	DTXSID7041916
Lokaler Name	Dibutyloxalat

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	9
Schwere Atome	14
Formalladung	0
Komplexität	157
Siedepunkt	241.00 °C. @ 760.00 mm Hg239-240 °C(lit.)
Schmelzpunkt	-29 °C−29 °C(lit.)
Dampfdruck	0.09 [mmHg]
Physical Description	Clear colorless liquid with a butyl-like odor[Acros Organics MSDS]
Kovats Retention Index	13591319132013211325
Dichte	0.986 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.423(lit.)
Flammpunkt	228 °F
Löslichkeit	Practically insoluble in waterInsoluble in water, soluble in alcohol and oils.
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Geruch	Faint, nondescript odor between fruity and wincy, rather pleasant but weak.
BRN	1776065
Kosmetik-Inhaltsstoffe Funktionen	HAIR CONDITIONINGPLASTICISERSOLVENTCHELATING
InChI	1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
InChIKey	JKRZOJADNVOXPM-UHFFFAOYSA-N
SMILES	CCCCOC(=O)C(=O)OCCCC
LogP (Verteilungskoeffizient)	2.742 (est)
CAS Datenbank	2050-60-4(CAS DataBase Reference)
NIST chemische Informationen	Ethanedioic acid, dibutyl ester(2050-60-4)
EPA chemische Informationen	Ethanedioic acid, dibutyl ester (2050-60-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, 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. 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.
Regulatorische Informationen	Chemical: Ethanedioic acid, dibutyl ester
Weitere Sicherheitsinformationen	IMAP assessments - Ethanedioic acid, dibutyl ester: Environment tier I assessmentIMAP assessments - Oxalate esters (C1-C4): Human health tier II assessment
Gefahrenübersicht	May cause irritation[Acros Organics MSDS] See Methyl oxalate and Diethyl oxalate.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)Acute toxicity - category 4Skin corrosion - category 1BSpecific target organ toxicity (repeated exposure) - category 2
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29171190
R-Sätze (R)	37/38-41-43-20/21
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-36/37/39-23
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3