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

CAS: 2179-57-9 Cat. No.: D109400 Molecular Weight: 146.27 Beilstein Registry Number: 1699241 EC Number: 218-548-6
AVAILABLE TO ORDER
GRADE & PURITY ≥85%
Synonyms
AKOS015840490 | ALLYL DISULFIDE [FHFI] | Diallyl disulfide, >=98% (HPLC) | diallyldisulphide | HSDB 595 | NSC 29228 | Q419633 | SPECTRUM1505174 | Diallyl disulfide, analytical standard | MFCD00008656 | 3-(allyldisulfanyl)prop-1-ene | SCHEMBL93944 | 3-(pro
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D109400-5g
1
$9.90
25g
D109400-25g
2
$22.90
100g
D109400-100g
2
$52.90
500g
D109400-500g
1
$181.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

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.

📚

Literature proof

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

Specifications

Synonyms
AKOS015840490 | ALLYL DISULFIDE [FHFI] | Diallyl disulfide, >=98% (HPLC) | diallyldisulphide | HSDB 595 | NSC 29228 | Q419633 | SPECTRUM1505174 | Diallyl disulfide, analytical standard | MFCD00008656 | 3-(allyldisulfanyl)prop-1-ene | SCHEMBL93944 | 3-(pro
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
Canonical SmilesC=CCSSCC=C
IUPAC Name3-(prop-2-enyldisulfanyl)prop-1-ene
InChIKeyPFRGXCVKLLPLIP-UHFFFAOYSA-N
INCHI1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
Isomeric SMILES C=CCSSCC=C
WGK Germany 3
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

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassAllyl sulfur compounds
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAllyl sulfur compounds
Alternative Parents Dialkyldisulfides  Sulfenyl compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Allyl sulfur compound - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAKI-1 (44928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DLD-1 (17511 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-257 (46019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC 2998 (41480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-92 (41141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BV-2 (3710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Thoracic aorta (838 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot NumberCertificate TypeDateItem
H2212105Certificate of AnalysisFeb 04, 2026 D109400
H2212106Certificate of AnalysisFeb 04, 2026 D109400
H2212125Certificate of AnalysisFeb 04, 2026 D109400
H2212127Certificate of AnalysisFeb 04, 2026 D109400
G2504100Certificate of AnalysisJul 16, 2025 D109400
L2419057Certificate of AnalysisMay 07, 2024 D109400
J2120220Certificate of AnalysisJul 17, 2023 D109400
J2120219Certificate of AnalysisJul 17, 2023 D109400
J2120221Certificate of AnalysisJul 17, 2023 D109400
D2116178Certificate of AnalysisJan 15, 2023 D109400
D2116180Certificate of AnalysisJan 15, 2023 D109400
D2116181Certificate of AnalysisJan 15, 2023 D109400
D2116179Certificate of AnalysisJan 15, 2023 D109400
D1502042Certificate of AnalysisSep 09, 2022 D109400

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Chemical and Physical Properties
SolubilityInsoluble in water
SensitivityHeat & Air Sensitive Moisture sensitive
Refractive Index1.561
Flash Point(°F)143.6 °F
Flash Point(°C)51°C
Boil Point(°C)80-85°C
Molecular Weight146.300 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass146.022 Da
Monoisotopic Mass146.022 Da
Topological Polar Surface Area50.600 Ų
Heavy Atom Count8
Formal Charge0
Complexity58.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Shuaishuai Chen, Weiyu Guo, Huan Liu, Jiang Zheng, Dingyan Lu, Jia Sun, Chun Li, Chunhua Liu, Yonglin Wang, Yong Huang, Wen Liu, Yongjun Li, Ting Liu.  (2023)  Mechanistic study of cytochrome P450 enzyme-mediated cytotoxicity of psoralen and isopsoralen.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:37660943] [10.1016/j.fct.2023.114011]
2. Ting Wang, Jing Deng, Ruijin Ran, Wenqiang Shi, Yunxia Gao, Xiang Ren, Jun Cao, Ming Zhang.  (2022)  In-situ forming PEG-engineering hydrogels with anti-fouling characteristics as an artificial vitreous body.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137486]
3. Tingting Li, Likun Ren, Dangfeng Wang, Minjie Song, Qiuying Li, Jianrong Li.  (2020)  Effect of allicin and its mechanism of action in purine removal in turbot.  JOURNAL OF FOOD SCIENCE,  85  (10): (3562-3569).  [PMID:32856309] [10.1111/1750-3841.15394]
4. Zhang Bin, Zheng Zhenjia, Liu Nan, Liu Pengli, Qiu Zhichang, Qiao Xuguang.  (2020)  Effect of different combined mechanical and thermal treatments on the quality characteristics of garlic paste.  JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE,  58  (3): (1061-1071).  [PMID:33678889] [10.1007/s13197-020-04620-1]
5. Wu Tiaodi, Li Lin, Song Guangjie, Ran Miaomiao, Lu Xiaoquan, Liu Xiuhui.  (2019)  An ultrasensitive electrochemical sensor based on cotton carbon fiber composites for the determination of superoxide anion release from cells.  MICROCHIMICA ACTA,  186  (3): (1-9).  [PMID:30796529] [10.1007/s00604-019-3304-1]
6. Yanbin Su, Xiaowei Ma, Ning Jiang, Qingsong Zhang, Mengjie Li, Yuan Li, Shuxin Li.  (2018)  Toxic target of trans-crotonaldehyde in mitochondria altered by diallyl disulfides for anti-myocardial ischemia.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:30075437] [10.1016/j.saa.2018.07.058]
7. Liu Xin Chao, Zhou Ligang, Liu Qiyong, Liu Zhi Long.  (2015)  Laboratory Evaluation of Larvicidal Activity of the Essential oil of Allium tuberosum Roots and its Selected Major Constituent Compounds Against Aedes albopictus (Diptera: Culicidae).  JOURNAL OF MEDICAL ENTOMOLOGY,  52  (3): (437-441).  [PMID:26334818] [10.1093/jme/tjv016]
8. Jia-yi Dou, Zhen-yu Cui, Mei-yan Xuan, Chong Gao, Zhao-Xu Li, Li-hua Lian, Hao-zhen Cui, Ji-xing Nan, Yan-ling Wu.  (2024)  Diallyl disulfide, the bioactive component of Allium species, ameliorates pulmonary fibrosis by mediating the crosstalk of farnesoid X receptor and yes-associated protein 1 signaling pathway.  PHYTOTHERAPY RESEARCH,      [PMID:38863408] [10.1002/ptr.8268]
9. Jinlong Qin, Min Sun, Jiajing Cheng, Huici Jiang, Mingchen Lv, Jianxing Jing, Ran Chen, Zhen Fan, Jianzhong Du.  (2024)  Ultrasound-Responsive Hydrogel Incorporated with TGF-β Mimetic Peptides for Endometrium Recovery to Restore Fertility.  ACS Applied Materials & Interfaces,      [PMID:39415495] [10.1021/acsami.4c07290]
10. Liangman Shi, Lunhui Zhu, Jialing Cao, Zhongyuan Zhang, Zhuqing Dai, Dajing Li, Lianfu Zhang, Cheng Yang.  (2025)  A novel mayonnaise product rich in cis-lutein with higher bioaccessibility using natural food ingredients and its textural properties, sensory quality and storage stability.  FOOD CHEMISTRY,      [PMID:40684574] [10.1016/j.foodchem.2025.145579]
11. Zhuyu Yang, Zefan Chen, Weijia Zhang, Jinlin Wang, Fan Bai, Ruichang Gao, Yujin Li, Jian Li, Yuanhui Zhao, Xinxing Xu.  (2025)  Comparison of key odorants and sensory properties of various caviar with different breeding environments, processing conditions, and grades of quality.  Food Chemistry-X,      [PMID:41312202] [10.1016/j.fochx.2025.103272]
12. Feng Liu, Feng Liu, Feng Liu, Zixuan Huang, Zixuan Huang, Jiao Li, Liming Li, Sheng Liu, Peng Li, Xiaowei Lei, Jiwei Zhang, Biqiang Jiang, Xuetao Gan, Jianlin Zhao.  (2026)  Mid-infrared micro-optics elements based on a flexible chalcogenide polymer.  OPTICS LETTERS,  51  (4): (857-860).  [PMID:41686935] [10.1364/OL.578637]
13. Meina Jin, Xiaoyue Lun, Wei Mu, Yunhe Zhao, Zhengqun Zhang.  (2026)  Functional Characterization of Three Odorant-Binding Proteins in Sex Pheromones and Host Plant Volatiles Detection in Bradysia odoriphaga.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41619224] [10.1021/acs.jafc.5c12660]
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