Basic information
- Name:
1,6-Hexanedithiol
- CAS No.:
1191-43-1
- Molecular Structure:
- Formula:
- C6H14S2
- Molecular Weight:
- 150.30
- Synonyms:
- NSC 29031;NSC 403684;1,6-Dimercaptohexane;1,6-Hexamethylenedithiol;1,6-Hexanedimercaptan;
- EINECS:
- 214-735-1
- Density:
- 0.99 g/cm3
- Melting Point:
- -21 °C(lit.)
- Boiling Point:
- 242.9 °C at 760 mmHg
- Flash Point:
- 90.6 °C
- Appearance:
- clear colorless to slightly yellow liquid
- Hazard Symbols:
Xn- Risk Codes:
- 36/37/38-20/21/22
- Safety Description:
- 23-24/25-36/37/39 Details
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Chemistry
Molecular Structure of 1,6-Hexanedithiol (CAS NO.1191-43-1):
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IUPAC Name: Hexane-1,6-dithiol
Canonical SMILES: C(CCCS)CCS
InChI: InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey: SRZXCOWFGPICGA-UHFFFAOYSA-N
Molecular Weight: 150.30536 [g/mol]
Molecular Formula: C6H14S2
XLogP3-AA: 2.2
EINECS: 214-735-1
Appearance: clear colorless to slightly yellow liquid
Melting Point: −21 °C(lit.)
Density: 0.99g/cm3
Boiling point: 242.9 °C at 760 mmHg
Molar refractivity: 45.63 cm3
Molar volume: 155.6 cm3
Surface tension: 33.5 dyne/cm
Enthalpy of vaporization: 46.05 kJ/mol.
Flash point: 90.6 °C
Vapor pressure: 0.0514 mmHg at 25 °C
Product Categories: Industrial / Fine Chemicals; Phenoles and thiophenoles; API intermediates; thiol Flavor; Sulfides flavors
Uses
1,6-Hexanedithiol (CAS NO.1191-43-1) can be used in synthetic rubber and food with spices.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 83mg/kg (83mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 87(Suppl), Pg. 6, 1946. |
| mouse | LC | inhalation | > 1490mg/m3/10 (1490mg/m3) | National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Aug, 1942. | |
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, |
Safety Profile
Safety Information of 1,6-Hexanedithiol (CAS NO.1191-43-1):
Hazard codes: 
Xn
Risk statements: 36/37/38-20/21/22
20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
36/37/38: Irritating to eyes, respiratory system and skin.
Safety statements: 23-24/25-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 3
RTECS: MO3500000
F: 13
HazardClass: 6.1
PackingGroup: III
Specification
1,6-Hexanedithiol (CAS NO.1191-43-1), its Synonyms are 1,6-Dimercaptohexane ; 1,6-Hexamethylenedithiol ; 1,6-Hexanedimercaptan ; Hexamethylene dimercaptan ; NDR-139 ; Hexane-1,6-dithiol .
