Diallyl sulfide - ≥98% , CAS No.592-88-1

CAS: 592-88-1 Cat. No.: D101110 Peso molecular: 114.21 Beilstein Registry Number: 1736016 Número EC: 209-775-1
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
NSC 20947 | 1-Propene,3'-thiobis- | 3-allylsulfanylprop-1-ene | 3-Allylsulfanyl-propene | Di(2-propenyl) sulfide | LS-13159 | SPBio_000793 | Allyl sulfide, 97% | HSDB 7333 | 4-01-00-02097 (Beilstein Handbook Reference) | DI(2-PROPENYL) SULPHIDE | 3-(Allyl
Storage
Store at 2-8°C
Shipped In
Wet ice,FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
D101110-5g
3
9,90US$
25g
D101110-25g
3
18,90US$
100g
D101110-100g
2
64,90US$
500g
D101110-500g
1
292,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice,FedEx DG Service 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Application:

Diallyl sulfide is a modulator of drug metabolizing enzyme P450 system and inducer of the phase II detoxifying enzyme GST. Diallyl sulfide is also an inhibitor of CYP2E1 and believed to prevent chemically-induced carcinogenesis in many tissues. It is also used as a food additive. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.


Specifications

Sinónimos
NSC 20947 | 1-Propene, 3'-thiobis- | 3-allylsulfanylprop-1-ene | 3-Allylsulfanyl-propene | Di(2-propenyl) sulfide | LS-13159 | SPBio_000793 | Allyl sulfide, 97% | HSDB 7333 | 4-01-00-02097 (Beilstein Handbook Reference) | DI(2-PROPENYL) SULPHIDE | 3-(Allyl
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
Organic sulfur compounds from garlic can inhibit the chemical induced carcinogenesis of experimental animals. The competitive inhibitor of cytochrome P450 2E1 (CYP2E1) correspondingly blocks the activation of several chemical carcinogens.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC=CCSCC=C
IUPAC Name3-prop-2-enylsulfanylprop-1-ene
InChIKeyUBJVUCKUDDKUJF-UHFFFAOYSA-N
INCHI1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
Isómeros SMILES C=CCSCC=C
WGK Alemania 2
RTECS BC4900000
Número ONU 1993
Peso molecular 114.21
Beilstein 1736016
Reaxy-Rn 1736016
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736016&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
ClaseAllyl sulfur compounds
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAllyl sulfur compounds
Alternative Parents Sulfenyl compounds  Dialkylthioethers  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound
DescripciónThis 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 sulfide
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HBA1 Tclin Hemoglobin HbA (880 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCNN1A Tclin Amiloride-sensitive sodium channel, ENaC (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 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
Mdr1a Multidrug resistance protein 1a (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 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.

13 results found

Lot NumberCertificate TypeFechaArticulo
F2610034Certificate of AnalysisJun 30, 2026 D101110
A2616148Certificate of AnalysisJan 28, 2026 D101110
L2216663Certificate of AnalysisSep 06, 2024 D101110
L2216670Certificate of AnalysisSep 06, 2024 D101110
L2216707Certificate of AnalysisSep 06, 2024 D101110
L2216714Certificate of AnalysisSep 06, 2024 D101110
D2425288Certificate of AnalysisApr 02, 2024 D101110
D2425290Certificate of AnalysisApr 02, 2024 D101110
D2425292Certificate of AnalysisApr 02, 2024 D101110
F2122066Certificate of AnalysisMar 16, 2023 D101110
F2122065Certificate of AnalysisMar 16, 2023 D101110
C1918180Certificate of AnalysisJan 18, 2023 D101110
J2410413Certificate of AnalysisOct 25, 2022 D101110

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Propiedades químicas y físicas
SolubilidadNot soluble in water, but miscible with ethanol, ether, chloroform, and carbon tetrachloride.
Índice de refracción1.4879-1.4899
Punto de inflamación (°F)114.8 °F
Punto de inflamación (°C)46℃
Punto de ebullición (°C)138°C
Punto de fusión (°C)-83°C
Peso molecular114.210 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass114.05 Da
Monoisotopic Mass114.05 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count7
Formal Charge0
Complexity49.200
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
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Gaofeng Hu, Kezhou Cai, Yuzhu Li, Teng Hui, Zhenyu Wang, Conggui Chen, Baocai Xu, Dequan Zhang.  (2021)  Significant inhibition of garlic essential oil on benzo[a]pyrene formation in charcoal-grilled pork sausages relates to sulfide compounds.  FOOD RESEARCH INTERNATIONAL,      [PMID:33641994] [10.1016/j.foodres.2021.110127]
2. Yao Lu, Fang-Qi Gao, Yu-Yan Wang, Ying-Wen Fu, Zhuo-Miao Li, Juan Xie, Gao-Qiang Liu, Yong-Nan Liu.  (2025)  Exogenous DBT and overexpression of deoR improved the waste tire rubber desulfurization ability of a newly isolated Escherichia sp. strain.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41086491] [10.1016/j.jhazmat.2025.140088]
3. 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]
Calculadoras de soluciones
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