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Di-sec-butyl disulfide

CAS 5943-30-6C8H18S2MW 178.4

Di-sec-butyl disulfide (CAS 5943-30-6) — formula C8H18S2, molecular weight 178.4; category organic chemicals.

Product Overview

CAS Number5943-30-6
Molecular FormulaC8H18S2
Molecular Weight178.4
Boiling Point218-220 °C
LogP3.6
ApplicationsUse Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Disulfide, bis(1-methylpropyl): ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Disulfide, bis(1-methylpropyl): ACTIVE.

Technical Profile

What this product is

Di-sec-butyl disulfide is a carbon-based organic compound with CAS registry number 5943-30-6 and molecular formula C8H18S2 (molecular weight 178.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5943-30-6

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

Also known as: Di-sec-butyl disulfide · 二仲丁基二硫醚

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Di-sec-butyl disulfide?

The CAS registry number of Di-sec-butyl disulfide is 5943-30-6.

What is the molecular formula and molecular weight of Di-sec-butyl disulfide?

Molecular formula C8H18S2, molecular weight 178.4.

What other names is Di-sec-butyl disulfide known by?

It is also registered under: Di-sec-butyl disulfide, 二仲丁基二硫醚.

What are the documented applications of Di-sec-butyl disulfide?

Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Disulfide, bis(1-methylpropyl): ACTIVE.

Which category does Di-sec-butyl disulfide belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Di-sec-butyl disulfide (CAS 5943-30-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5943-30-6
PubChem CID94314
Molecular formulaC8H18S2
IUPAC name2-(butan-2-yldisulfanyl)butane
UNII (FDA)P593TCY71H
FEMA number4578
JECFA number1933

Computed descriptors

Molecular Weight178.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass178.08499292
Monoisotopic Mass178.08499292
Topological Polar Surface Area50.6
Heavy Atom Count10

Physicochemical values on record

Boiling Point218-220 °C
Density0.942-0.954 (20 °C)
Refractive Index1.477-1.497

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactFDA 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 summary69.5% (89 / 128)

    GHS hazard classification

    GHS notification summary69.5% (89 / 128)
    Reported hazard statementsH315 (30.5%), H319 (30.5%), H335 (30.5%)

    This chemical does not meet GHS hazard criteria for 69.5% (89 of 128) of all reports.

    H315 (30.5%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Di-sec-butyl disulfide · CAS 5943-30-6 · C8H18S2. UNII P593TCY71H. Boiling Point: 218-220 °C; Density: 0.942-0.954 (20 °C); Refractive Index: 1.477-1.497.

    Physical description and handling notes

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

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