Grundinformationen
- Standard-SMILES
CSCSC- InChIKey
LOCDPORVFVOGCR-UHFFFAOYSA-N- Summenformel
- C3H8S2
- Durchschnittliche Molmasse
- 108,23 g/mol
- Monoisotopische Masse
- 108,00674226
Überblick
Bis(methylthio)methane is a dithioacetal.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dithiapentane
- IUPAC
- bis(methylsulfanyl)methane
- Lokaler Name
- 2,4-Dithiapentan
- Englischer Name
- Bis(methylthio)methane
- Summenformel
- C3H8S2
- Molmasse
- 108.23
Namen und Synonyme
Bis(methylthio)methane1618-26-4Bis(methylsulfanyl)methaneMethane, bis(methylthio)-2,4-DITHIAPENTANEBis(methylmercapto)methaneFormaldehyde dimethyl mercaptalMethylenebis(methyl sulfide)Bis[methylmercapto]methaneFEMA NO. 3878128SGX814TNSC-96010
Weitere Namen anzeigen
FEMA 3878truffle sulfideBis(methyLCH3SCH2SCH3thio)methanebis(methylthio)methanbis(methylthio)-methan
Methylenebis[methyl sulfide]DTXSID0061822RefChem:120244DTXCID4035203216-577-9DimethylthiomethaneThioformaldehyde dimethylacetal2,4-dithiopentane
Datenbank-Bezeichner
- CAS
1618-26-4- PubChem CID
- 15380
- DTXSID
DTXSID0061822- ChEBI
CHEBI:167064- UNII
- 128SGX814T
- EC Number
- 216-577-9
- Nikkaji
- J7.534E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 50,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 12,4
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (bis-(Methylthio)methane) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.959-1.059
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
very slightly soluble in water; soluble in alcohols and oils
(in ethanol)
Boiling Point
147.00 to 148.00 °C. @ 760.00 mm Hg
193 °C
Refractive Index1.530-1.538
Physical Descriptionpale yellow, oily liquid with an odour of fresh mustard
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 °C · 148 °C
- Siedepunkt
- 147 °C · 147 °C(lit.)
- Dichte
- 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
- Dampfdruck
- 4.679 hPa · 4.679hPa at 20℃
- Brechungsindex
- 20 · n20/D 1.53(lit.)
- FEMA
- 3878 · 3878 | BIS-(METHYLTHIO)METHANE
- Flammpunkt
- 111 °F · 111 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- IMMISCIBLE
- Aggregatzustand
- liquid
- Farbe
- 100 · APHA: ≤100
- Wichte
- 1.059 · 1.059
- Geruch (Odor)
- 0.1 % · at 0.10 % in propylene glycol. garlic sulfurous green spicy mushroom
- Geruchsart
- sulfurous
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- IMMISCIBLE
- Merck
- 14 · 14,1256
- JECFA Number
- 533 · 533
- BRN
- 1731143 · 1731143
- Major Application
- flavors and fragrances
- InChI
- 1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
- InChIKey
- LOCDPORVFVOGCR-UHFFFAOYSA-N
- SMILES
- CSCSC
- LogP
- 2.31 at · 2.31 at 20℃
- CAS Datenbank
- 1618 · 1618-26-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4-Dithiapentane(1618-26-4)
- EPA chemische Informationen
- Methane, bis(methylthio)- (1618-26-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (12.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1464 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methane, bis(methylthio)-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: 2,4-dithiapentane (EC: 216-577-9)
Methane, bis(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (12.2%)
Sicherheitsdaten
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309070
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationMethane, bis(methylthio)-: ACTIVE
Anwendungen
OccurrenceReported found in Camembert and Gruyere cheeses, milk, fish oil, cooked and canned beef, shitake mushroom, truffle, prawn and lobster.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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