仲丁基二硫醚

Description

sec-Butyl disulfide · CAS 593-30-6 · C8H18S2. UNII P593TCY71H. Boiling Point: 218-220 °C; Density: 0.942-0.954 (20 °C); Refractive Index: 1.477-1.497.

Identification

CAS Registry Number	593-30-6
PubChem CID	94314
Molecular formula	C8H18S2
IUPAC name	2-(butan-2-yldisulfanyl)butane
UNII (FDA)	P593TCY71H
FEMA number	4578
JECFA number	1933

Computed Descriptors

Molecular Weight	178.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.08499292
Monoisotopic Mass	178.08499292
Topological Polar Surface Area	50.6
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	218-220 °C
Density	0.942-0.954 (20 °C)
Refractive Index	1.477-1.497

Physical description & handling notes

• Clear colourless liquid; Strong sulphureous aroma
• Practically insoluble or insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Savory No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/124
GHS notification summary	69.5% (89 / 128)

GHS Hazard Classification

GHS notification summary	69.5% (89 / 128)
Reported hazard statements	H315 (30.5%), H319 (30.5%), H335 (30.5%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Disulfide, bis(1-methylpropyl): ACTIVE

Synonyms

sec-Butyl Disulfide; 5943-30-6; Di-sec-butyl disulfide; sec-Butyldisulfide; Disulfide, bis(1-methylpropyl); Dibutan-2-yl disulfide; 1-Methylpropyl disulfide; Bis(2-butyl) disulfide; DTXSID6044698; Bis(sec-butyl) disulphide; Di(1-methylpropyl) disulfide; bis(1-Methylpropyl) disulfide; CCRIS 5539; P593TCY71H; 3,6-Dimethyl-4,5-dithiaoctane; EINECS 227-702-1

Frequently Asked Questions

What are the CAS number and molecular formula of sec-Butyl disulfide?

CAS 593-30-6; molecular formula C8H18S2; molecular weight — g/mol.

What other names is sec-Butyl disulfide known by?

sec-Butyl Disulfide, 5943-30-6, Di-sec-butyl disulfide, sec-Butyldisulfide, Disulfide, bis(1-methylpropyl), Dibutan-2-yl disulfide.

What is the regulatory status of sec-Butyl disulfide?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is sec-Butyl disulfide classified as hazardous?

69.5% of GHS notifications report no hazard classification (89 of 128).

What are the key physical properties of sec-Butyl disulfide?

Boiling Point: 218-220 °C; Density: 0.942-0.954 (20 °C); Refractive Index: 1.477-1.497.

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.