Dipropyldisulfid

DIPROPYL DISULFIDE · DIPROPYL DISULPHIDE · FEMA 3228 · 1,2-Dipropyldisulfane · 1-(Propyldisulfanyl)propane · PROPYL DISULPHIDE · Disulfide,dipropyl · (n-C3H7S)2

https://huagongshe.com/de/chemical/12377

Identifikatoren & physikalische Daten

CAS No.	629-19-6
Summenformel	C6H14S2
Durchschnittliche Molmasse	150,3 g/mol
Monoisotopische Masse	150,05369245 g/mol
SMILES	CCCSSCCC
InChIKey	ALVPFGSHPUPROW-UHFFFAOYSA-N
PubChem CID	12377
ChEBI	CHEBI:45758
EC No.	211-079-8
DTXSID	DTXSID2022096
Lokaler Name	Dipropyldisulfid

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	50,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	5
Schwere Atome	8
Formalladung	0
Komplexität	31,5
SpringerMaterials Properties	Boiling point
Duftstoffe	Fragrance Ingredient (Dipropyl disulfide) -> IFRA transparency List
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.950-0.9600.96 g/mL at 25 °C (lit.)
Aromastoffe	EU Flavoring substances
Löslichkeit	insoluble in watersoluble in ethyl alcohol and oil(in ethanol)0.04g/l
Flammpunkt	151 °F
Siedepunkt	193.00 to 195.00 °C. @ 760.00 mm Hg193.5-195 °C99 °C (40 mm Hg)383 °F195-196 °C (lit.)
Schmelzpunkt	-85.6 °C-122.1 °F-86 °C (lit.)
Brechungsindex	1.495-1.500n20/D 1.497(lit.)
Physical Description	Liquidcolourless to pale yellowish liquid with poor tenacitypungent sulfur-like odour of onion or garlicColorless to pale yellow odorous liquid.
FEMA	3228 \| PROPYL DISULFIDE
Lagerbedingungen	Store below +30°C.
Aggregatzustand	Liquid
Farbe	Clear colorless to pale yellow
Geruch	at 0.10 % in propylene glycol. sulfury earthy burnt green onion
Geruchsart	alliaceous
Geruchsschwelle	0.00091ppm
Biologische Quelle	synthetic
JECFA Number	566
BRN	969200
Henry-Konstante	2.2×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Hauptanwendungen	flavors and fragrances
InChI	1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey	ALVPFGSHPUPROW-UHFFFAOYSA-N
SMILES	CCCSSCCC
LogP (Verteilungskoeffizient)	3.84
CAS Datenbank	629-19-6(CAS DataBase Reference)
NIST chemische Informationen	Disulfide, dipropyl(629-19-6)
EPA chemische Informationen	Dipropyl disulfide (629-19-6)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.3% (4 of 1428) of reports.WarningH302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1428 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Disulfide, dipropylRegulation (EC) No 1831/2003 (amended)Disulfide, dipropyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (91.1%)
F	13
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	2810
Zollcode	29309070
RTECS-Nr.	JO1955000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	23-24/25-37/39-26
Gefahrenklasse	6.1(b)Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Verpackungsgruppe	III
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Occurrence

Reported found in cabbage, onion, garlic, shallot, roasted onion, raw leek, heated leek, chive, nobiru, caucas, Welsh onion, scallion, grilled and roasted beef and roasted peanut.

Herstellung & Synthese

synthetische

By boiling propyl bromide and Na2S2 in propyl alcohol; from iodine and n-propyl mercaptan; from propyl iodide and sodium thiosulfate by way of sodium propyl thiosulfate, followed by heating.