Grundinformationen
- CAS
1191-43-1- Standard-SMILES
SCCCCCCS- InChIKey
SRZXCOWFGPICGA-UHFFFAOYSA-N- Summenformel
- C6H14S2
- Durchschnittliche Molmasse
- 150,3 g/mol
- Monoisotopische Masse
- 150,05369279
Namen und Bezeichner
- Bevorzugter Name
- 1,6-Hexanedithiol
- IUPAC
- hexane-1,6-dithiol
- Lokaler Name
- Hexan-1,6-dithiol
- Englischer Name
- 1,6-Hexanedithiol
- Summenformel
- C6H14S2
- Molmasse
- 150.31
Namen und Synonyme
1,6-HEXANEDITHIOL1191-43-1Hexane-1,6-dithiol1,6-DimercaptohexaneHexamethylene dimercaptan1,6-Hexane dithiolFEMA No. 3495RWN7RM884ENSC-29031DTXSID60152317RefChem:73634DTXCID9074808
Weitere Namen anzeigen
FEMA 3495Hexanedithiolusafuctl-72Hexamethyle1,6-hexanethiol1,6-HEXANDITHIOL1,6-Hexanedithio
214-735-11,6-HexanedimercaptanUSAF uctl-721,6-HexamethylenedithiolMFCD00004910NDR-139Hexanedithiol-(1,6)EINECS 214-735-1
Datenbank-Bezeichner
- CAS
1191-43-1- PubChem CID
- 14491
- DTXSID
DTXSID60152317- ChEBI
CHEBI:173638- UNII
- RWN7RM884E
- EC Number
- 214-735-1
- Nikkaji
- J40.600G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 31
Experimentelle und physikochemische Eigenschaften
Density0.983-0.995
Solubility
insoluble in water; miscible in fat
(in ethanol)
Boiling Point
118.00 to 119.00 °C. @ 15.00 mm Hg
242-243 °C; 118-119 °C (15 mm Hg)
Melting Point-21.00 °C. @ 760.00 mm Hg
Refractive Index1.511-1.5140
Kovats Retention Index
1255；1258
1270；1270
1770
Physikochemische Eigenschaften
- Schmelzpunkt
- -21 °C · -21 °C (lit.)
- Siedepunkt
- 118 · 118-119 °C/15 mmHg (lit.)
- Dichte
- 0.983 g/mL · 0.983 g/mL at 25 °C (lit.)
- Dampfdruck
- 1 mm · ~1 mm Hg ( 20 °C)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 69.1% (67 of 97) of all reports.
Warning
H302 (30.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (30.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (30.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 67 of 97 reports by companies.；There are 4 notifications provided by 30 of 97 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
Chemical: 1,6-Hexanedithiol
1,6-Hexanedithiol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (30.9%)；Acute Tox. 4 (30.9%)；Acute Tox. 4 (30.9%)
Regulatorische Informationen
Regulatory Information
Chemical: 1,6-Hexanedithiol
1,6-Hexanedithiol: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
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
Anwendungen
OccurrenceReported found in boiled beef.
Verwenden1,6-Hexanedithiol is used in self-assembled monolayers (SAMs). It is used in synthetic rubber and food with spices. It is also used in Food Flavor, Tobacco Flavor, Blending edible flavors: Beef, poultry soup .
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