Allicin - ≥80%, mixture , CAS No.539-86-6

CAS: 539-86-6 Cat. No.: A303933 Peso molecular: 162.27 Número EC: 208-727-7
Disponible para pedir
GRADE & PURITY ≥80% mixture
Synonyms
ALLICIN [MI] | HY-N0315 | UNII-3C39BY17Y6 | Dianyctrsnlgide;Allisatin | S-allyl 2-propene-1-sulfinothioate | SCHEMBL2920 | BRN 1752823 | AC-34150 | allitridi | XA176305 | BCP08391 | Diallyldisulfid-S-oxid | EN300-217463 | Allicin (Allyl-S(O)S-Allyl) | Dia
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
A303933-1g
4
11,90US$
5g
A303933-5g
2
31,90US$
25g
A303933-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
88,90US$
100g
A303933-100g
3
318,90US$
500g
A303933-500g
2
946,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥80%, mixture for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

The main component is diallyl disulfide+diallyl trisulfide+trithiodipropene

Specifications

Sinónimos
ALLICIN [MI] | HY-N0315 | UNII-3C39BY17Y6 | Dianyctrsnlgide;Allisatin | S-allyl 2-propene-1-sulfinothioate | SCHEMBL2920 | BRN 1752823 | AC-34150 | allitridi | XA176305 | BCP08391 | Diallyldisulfid-S-oxid | EN300-217463 | Allicin (Allyl-S(O)S-Allyl) | Dia
Especificaciones y pureza
≥80%, mixture
Mecanismos bioquímicos y fisiológicos
Antibacterial against Gram-negative and Gram-positive bacteria, including multidrug-resistant enterotoxicogenic strains of E.coli . Displays antifungal and antiparasitic effects and enhances the production of IFN-γ, TNF, IL-12p70 and NO in vivo .
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nota
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. 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.
Pureza
≥80%
Nombres e identificadores
Pubchem Sid504753944
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753944
Sonrisas canónicasC=CCSS(=O)CC=C
IUPAC Name3-prop-2-enylsulfinylsulfanylprop-1-ene
InChIKeyJDLKFOPOAOFWQN-UHFFFAOYSA-N
INCHI1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
Isómeros SMILES C=CCSS(=O)CC=C
Peso molecular 162.27
Reaxy-Rn 1752823
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752823&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
SuperclassOrganic acids and derivatives
ClaseThiosulfinic acid esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiosulfinic acid esters
Alternative Parents Allyl sulfur compounds  Sulfinyl compounds  Sulfenyl compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Thiosulfinic acid ester - Allyl sulfur compound - Sulfenyl compound - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl).
External Descriptors an organosulfur compound
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TERT Tchem Telomerase reverse transcriptase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC25A21 Tchem Mitochondrial 2-oxodicarboxylate carrier (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HMGCR Tclin HMG-CoA reductase (2475 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRPV1 Tclin Vanilloid receptor (8273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSB Tchem Cathepsin B (3822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TERT Tchem Telomerase reverse transcriptase (2428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Daudi (625 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
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-N87 (850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-AS (237 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCNN1A Tclin Amiloride-sensitive sodium channel, ENaC (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-FI (180 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-BE(2)-M17 (195 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
CTSL Cathepsin L (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterobacter cloacae (7976 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecium (13803 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meloidogyne incognita (862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rhodesain Rhodesain (1463 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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

10 results found

Lot NumberCertificate TypeFechaArticulo
D2621109Certificate of AnalysisApr 30, 2026 A303933
A2615158Certificate of AnalysisJan 19, 2026 A303933
K2215668Certificate of AnalysisAug 13, 2025 A303933
K2215669Certificate of AnalysisAug 13, 2025 A303933
K2215670Certificate of AnalysisAug 13, 2025 A303933
K2215671Certificate of AnalysisAug 13, 2025 A303933
K2215672Certificate of AnalysisAug 13, 2025 A303933
E2522028Certificate of AnalysisAug 22, 2022 A303933
F2510176Certificate of AnalysisAug 22, 2022 A303933
G2409034Certificate of AnalysisAug 22, 2022 A303933
Propiedades químicas y físicas
Índice de refracciónn20/D 1.409(lit.)
Punto de inflamación (°C)48.88ºC
Punto de ebullición (°C)136-138 °C(lit.)
Punto de fusión (°C)-70 °C
Peso molecular162.300 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass162.017 Da
Monoisotopic Mass162.017 Da
Topological Polar Surface Area61.600 Ų
Heavy Atom Count9
Formal Charge0
Complexity120.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Weiqing Lan, Bingjie Zhang, Jintao Du, Shengyun Zhu, Xiao Xu, Jing Xie.  (2023)  Synergistic Effect of Combined Treatment with Allicin and Antioxidant of Bamboo Leaves and Preservation of Bullfrogs (Lithobates catesbeiana) during Refrigeration Storage.  Foods,  12  (18): (3467).  [PMID:37761176] [10.3390/foods12183467]
2. Chi Zhang, Man Fang, Yuanbo Gao, Yunchao Li, Louzhen Fan, Xiaohong Li.  (2023)  Valence-Engineered Oxidase-Mimicking Nanozyme with Specificity for Aromatic Amine Oxidation and Identification.  ANALYTICAL CHEMISTRY,      [PMID:37402320] [10.1021/acs.analchem.3c01488]
3. Jing Nie, Rui Weng, Chunlin Li, Xiuhua Liu, Fang Wang, Karyne M. Rogers, Yongzhong Qian, Yongzhi Zhang, Yuwei Yuan.  (2022)  Chemometric origin classification of Chinese garlic using sulfur-containing compounds, assisted by stable isotopes and bioelements.  FOOD CHEMISTRY,      [PMID:35759834] [10.1016/j.foodchem.2022.133557]
4. Fan Zhi-xia, Zhang Jing, Wang Xin, Miao Guo-ying.  (2022)  Convergent Fabrication of Allicin Loaded Polymeric Nanoparticles for Treatment of In Vitro Squamous Carcinoma Cells and Systemic Toxicity.  JOURNAL OF CLUSTER SCIENCE,  34  (2): (761-771).  [PMID:] [10.1007/s10876-022-02246-1]
5. Zhouyi Xiong, Mingqian Zhou, Jihui Wang, Bo Wang, Xuan Chen, Shan Xiao.  (2026)  Allicin-mediated protection of myofibrillar proteins in refrigerated mandarin fish (Siniperca chuatsi): Molecular interactions with endogenous proteases and inhibition of protein degradation.  Food Chemistry-X,      [PMID:41551780] [10.1016/j.fochx.2025.103477]
Calculadoras de soluciones
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