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1191-43-1

Basic Information
CAS No.: 1191-43-1
Name: 1,6-Hexanedithiol
Article Data: 19
Molecular Structure:
Molecular Structure of 1191-43-1 (1,6-Hexanedithiol)
Formula: C6H14S2
Molecular Weight: 150.309
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
Solubility: Not miscible in water.
Appearance: clear colorless to slightly yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 23-24/25-36/37/39
PSA: 77.60000
LogP: 2.40640
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    Product name: 1,6-Hexanedithiol CAS No.:1191-43-1 Molecule Formula:C6H14S2 Molecule Weight:150.31 Purity: 99.0% Package: 25kg/drum Description:Clear colorless to slightly yellow liquid Manufacture Standards:Enterprise Standard TE

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    Product Name: 1,6-Hexanedithiol MF: C6H14S2 MW: 150.31 EINECS: 214-735-1 Mol File: 1191-43-1.mol 1,6-Hexanedithiol Structure 1,6-Hexanedithiol Chemical Properties Melting point -21 °C (lit.) Boiling point 118-119 °C/1

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  • 1,6-Hexanedithiol

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    1,6-Hexanedithiol

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    1,6-Hexanedithiol

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    1,6-Hexanedithiol

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  • 1,6-Dihexyl Mercaptan

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  • 1,6-Hexanedithiol

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    1191-43-1

    1,6-Hexanedithiol

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Chemistry

Molecular Structure of 1,6-Hexanedithiol (CAS NO.1191-43-1):

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 .