Diallyl disulfide - ≥85% , CAS No.2179-57-9

Name: Diallyl disulfide - ≥85% , CAS No.2179-57-9
SKU: D109400
Availability: InStock

CAS: 2179-57-9 Cat. No.: D109400 Formula: C₆H₁₀S₂ Molecular Weight: 146.27 Beilstein Registry Number: 1699241 EC Number: 218-548-6

13 Citations COA

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Diallyl disulfide - ≥85% CAS No(2179-57-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥85%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties FAQs and Articles Citations of This Product Solution Calculators Reviews

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Why this grade

≥85% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥85%

Biochemical and Physiological Mechanisms

Organosulfur compound that is naturally found in garlic. Contributes to the pungenet odor of crushed garlic. Anticancer agent and may provide protection against cardiovascular disease.Organosulfur compound. Shows anticancer and anti-oxidant properties. Ac

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥85%

Names and Identifiers

Pubchem Sid

508812190

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812190

Canonical Smiles

C=CCSSCC=C

IUPAC Name

3-(prop-2-enyldisulfanyl)prop-1-ene

InChIKey

PFRGXCVKLLPLIP-UHFFFAOYSA-N

INCHI

1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2

Isomeric SMILES

C=CCSSCC=C

WGK Germany

RTECS

BB1000000

UN Number

2810

Molecular Weight

146.27

Beilstein

1699241

Reaxy-Rn

1699241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699241&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Allyl sulfur compounds

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Allyl sulfur compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Allyl sulfur compounds
Alternative Parents	Dialkyldisulfides Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Allyl sulfur compound - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as allyl sulfur compounds. These are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS.
External Descriptors	organic disulfide
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
G2504100	Certificate of Analysis	Jul 16, 2025	D109400
J2120219	Certificate of Analysis	Apr 02, 2025	D109400
J2120221	Certificate of Analysis	Apr 02, 2025	D109400
D2116179	Certificate of Analysis	Oct 12, 2024	D109400
L2419057	Certificate of Analysis	May 07, 2024	D109400
J2120220	Certificate of Analysis	Jul 17, 2023	D109400
D2116178	Certificate of Analysis	Jan 15, 2023	D109400
D2116180	Certificate of Analysis	Jan 15, 2023	D109400
D2116181	Certificate of Analysis	Jan 15, 2023	D109400
D1502042	Certificate of Analysis	Sep 09, 2022	D109400
H2212105	Certificate of Analysis	Jun 18, 2022	D109400
H2212106	Certificate of Analysis	Jun 18, 2022	D109400
H2212125	Certificate of Analysis	Jun 18, 2022	D109400
H2212127	Certificate of Analysis	Jun 18, 2022	D109400

Solubility	Insoluble in water
Sensitivity	Heat & Air Sensitive Moisture sensitive
x_refractive_index	1.561
x_flash_point_drop_fahrenheit	143.6 °F
x_flash_point_drop_centigrade	51°C
x_boil_point_char	80-85°C
Molecular Weight	146.300 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	146.022 Da
Monoisotopic Mass	146.022 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	58.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Diallyl disulfide - ≥85% , CAS No.2179-57-9

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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