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Diallyl trisulfide

CAS 2050-87-5C6H10S3MW 177.99 g/mol

Diallyl trisulfide (CAS 2050-87-5) — formula C6H10S3, molecular weight 177.99 g/mol; category organic chemicals.

Specifications

CAS Number2050-87-5
Molecular FormulaC6H10S3
Molecular Weight177.99 g/mol
Boiling Point112.00 to 120.00 °C. @ 16.00 mm Hg
LogP2.6
ApplicationsUse Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides
CategoryOrganic Chemicals

Where it is used

Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides.

Purchase Profile

What this product is

Diallyl trisulfide is a carbon-based organic compound with CAS registry number 2050-87-5 and molecular formula C6H10S3 (molecular weight 177.99 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 2050-87-5

Its molecular formula C6H10S3 comprises 6 C, 10 H, 3 S atoms.

Also known as: Diallyl trisulfide · Garlic Extract

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Diallyl trisulfide?

The CAS registry number of Diallyl trisulfide is 2050-87-5.

What is the molecular formula and molecular weight of Diallyl trisulfide?

Molecular formula C6H10S3, molecular weight 177.99 g/mol.

What other names is Diallyl trisulfide known by?

It is also registered under: Diallyl trisulfide, Garlic Extract.

What are the documented applications of Diallyl trisulfide?

Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides.

Which category does Diallyl trisulfide belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Diallyl trisulfide (CAS 2050-87-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH302 (97.4%)

H302 (97.4%): 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 ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Savory
GARLIC EXTRACT

Physical description and handling notes

  • Liquid
  • yellow liquid with disagreeable odour
  • insoluble in water and alcohol; miscible with ether
  • (in ethanol)
  • 126.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Reported physical properties

沸点112.00 to 120.00 °C. @ 16.00 mm Hg
沸点112-120 °C (16 mm Hg); 95-97 °C (5 mm Hg); 70 °C (1.0 mm Hg)
密度1.135-1.170
折射率1.600-1.620

How this substance is indexed

CAS Registry Number2050-87-5
PubChem CID16315
分子式C6H10S3
分子量177.99 g/mol
IUPAC 名称3-(prop-2-enyltrisulfanyl)prop-1-ene
InChIKeyUBAXRAHSPKWNCX-UHFFFAOYSA-N
UNII（FDA）0ZO1U5A3XX
ChEBI 编号CHEBI:78492
FEMA 编号3265
JECFA 编号587

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Information on 10 consumer products that contain Garlic extract in the following categories is provided:
  • Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
  • Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
  • Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Names this substance appears under

Diallyl trisulfide; 2050-87-5; ALLYL TRISULFIDE; Allitridin; Trisulfide, di-2-propenyl; Di-2-propenyl trisulfide; allitridum; diallyltrisulfane; FEMA No. 3265; bis(prop-2-en-1-yl)trisulfane; 3-(prop-2-enyltrisulfanyl)prop-1-ene; DTXSID9045972; 0ZO1U5A3XX; NSC651936; ALLITRIDE; NSC-651936

Computed molecular descriptors

分子量178.3
XLogP32.6
氢键供体数0
氢键受体数3
可旋转键数6
精确质量177.99446384
单同位素质量177.99446384
拓扑极性表面积75.9
重原子数9
形式电荷0

Database abstract

Diallyl trisulfide is identified by CAS 2050-87-5, molecular formula C6H10S3 and molecular weight 177.99 g/mol. UNII 0ZO1U5A3XX; ChEBI 78492; InChIKey UBAXRAHSPKWNCX-UHFFFAOYSA-N. 沸点: 112.00 to 120.00 °C. @ 16.00 mm Hg; 沸点: 112-120 °C (16 mm Hg); 95-97 °C (5 mm Hg); 70 °C (1.0 mm Hg); 密度: 1.135-1.170.

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

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