1,6-Hexanedithiol

Description

1,6-Hexanedithiol is identified by CAS 1191-43-1, molecular formula C6H14S2 and molecular weight 150.05 g/mol. UNII RWN7RM884E; ChEBI 173638; InChIKey SRZXCOWFGPICGA-UHFFFAOYSA-N. Boiling Point: 118.00 to 119.00 °C. @ 15.00 mm Hg; Boiling Point: 242-243 °C; 118-119 °C (15 mm Hg); Melting Point: -21.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	1191-43-1
PubChem CID	14491
Molecular formula	C6H14S2
Molecular weight	150.05 g/mol
IUPAC name	hexane-1,6-dithiol
InChIKey	SRZXCOWFGPICGA-UHFFFAOYSA-N
UNII (FDA)	RWN7RM884E
ChEBI ID	CHEBI:173638
FEMA number	3495
JECFA number	540

Computed Descriptors

Molecular Weight	150.3
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	150.05369279
Monoisotopic Mass	150.05369279
Topological Polar Surface Area	2
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	118.00 to 119.00 °C. @ 15.00 mm Hg
Boiling Point	242-243 °C; 118-119 °C (15 mm Hg)
Melting Point	-21.00 °C. @ 760.00 mm Hg
Density	0.983-0.995
Refractive Index	1.511-1.5140

Physical description & handling notes

• insoluble in water; miscible in fat
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	69.1% (67 / 97)

GHS Hazard Classification

GHS notification summary	69.1% (67 / 97)
Reported hazard statements	H302 (30.9%), H312 (30.9%), H332 (30.9%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

1,6-HEXANEDITHIOL; 1191-43-1; Hexane-1,6-dithiol; 1,6-Dimercaptohexane; Hexamethylene dimercaptan; 1,6-Hexane dithiol; FEMA No. 3495; RWN7RM884E; NSC-29031; DTXSID60152317; RefChem:73634; DTXCID9074808; 214-735-1; 1,6-Hexanedimercaptan; USAF uctl-72; 1,6-Hexamethylenedithiol

Frequently Asked Questions

What are the CAS number and molecular formula of 1,6-Hexanedithiol?

CAS 1191-43-1; molecular formula C6H14S2; molecular weight 150.05 g/mol.

What other names is 1,6-Hexanedithiol known by?

1,6-HEXANEDITHIOL, 1191-43-1, Hexane-1,6-dithiol, 1,6-Dimercaptohexane, Hexamethylene dimercaptan, 1,6-Hexane dithiol.

What is the regulatory status of 1,6-Hexanedithiol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE; Flavoring Agents.

Is 1,6-Hexanedithiol classified as hazardous?

69.1% of GHS notifications report no hazard classification (67 of 97).

What are the key physical properties of 1,6-Hexanedithiol?

Boiling Point: 118.00 to 119.00 °C. @ 15.00 mm Hg; Boiling Point: 242-243 °C; 118-119 °C (15 mm Hg); Melting Point: -21.00 °C. @ 760.00 mm Hg; Density: 0.983-0.995.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.