1,8-Octanedithiol

Name: 1,8-Octanedithiol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160488
Availability: InStock

CAS 1191-62-4C8H18S2MW 178.09 g/mol

1,8-Octanedithiol (CAS 1191-62-4) — formula C8H18S2, molecular weight 178.09 g/mol.

Specifications

CAS Number1191-62-4

Molecular FormulaC8H18S2

Molecular Weight178.09 g/mol

Melting Point0.9 °C

Boiling Point142.00 °C. @ 30.00 mm Hg

LogP3.3

Purchase Profile

What this product is

1,8-Octanedithiol is a chemical compound with CAS registry number 1191-62-4 and molecular formula C8H18S2 (molecular weight 178.09 g/mol).

Identification

CAS number: 1191-62-4

Its molecular formula C8H18S2 comprises 8 C, 18 H, 2 S atoms.

Also known as: 1,8-Octanedithiol · octane-1,8-dithiol

Frequently Asked Questions

What is the CAS number of 1,8-Octanedithiol?

The CAS registry number of 1,8-Octanedithiol is 1191-62-4.

What is the molecular formula and molecular weight of 1,8-Octanedithiol?

Molecular formula C8H18S2, molecular weight 178.09 g/mol.

What other names is 1,8-Octanedithiol known by?

It is also registered under: 1,8-Octanedithiol, octane-1,8-dithiol.

PubChem Public Data

Public-database records for 1,8-Octanedithiol (CAS 1191-62-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H302 (100%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

Liquid with odor of "stench"; [MSDSonline]
Liquid
insoluble in water; miscible in oil
(in ethanol)

Reported physical properties

沸点	142.00 °C. @ 30.00 mm Hg
沸点	269-270 °C; 193 °C (100 mm Hg)
熔点	0.9 °C
密度	0.962 (d20/4)
折射率	1.503-1.504

How this substance is indexed

CAS Registry Number	1191-62-4
PubChem CID	14493
分子式	C8H18S2
分子量	178.09 g/mol
IUPAC 名称	octane-1,8-dithiol
InChIKey	PGTWZHXOSWQKCY-UHFFFAOYSA-N
UNII（FDA）	KH3W3161HS
ChEBI 编号	CHEBI:172319
FEMA 编号	3514
JECFA 编号	541

Documented uses

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

Names this substance appears under

1,8-OCTANEDITHIOL; 1191-62-4; Octane-1,8-dithiol; 1,8-Dimercaptooctane; Octamethylene dimercaptan; 1,8-Octamethylenedithiol; FEMA No. 3514; DTXSID8047474; KH3W3161HS; DTXCID6027474; RefChem:73783; 214-738-8; MFCD00003574; SCHEMBL63238; OCTANEDITHIOL, 1,8-; CHEBI:172319

Computed molecular descriptors

分子量	178.4
XLogP3	3.3
氢键供体数	2
氢键受体数	2
可旋转键数	7
精确质量	178.08499292
单同位素质量	178.08499292
拓扑极性表面积	2
重原子数	10
形式电荷	0

Database abstract

1,8-Octanedithiol is identified by CAS 1191-62-4, molecular formula C8H18S2 and molecular weight 178.09 g/mol. UNII KH3W3161HS; ChEBI 172319; InChIKey PGTWZHXOSWQKCY-UHFFFAOYSA-N. 沸点: 142.00 °C. @ 30.00 mm Hg; 沸点: 269-270 °C; 193 °C (100 mm Hg); 熔点: 0.9 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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