3-(prop-2-en-1-ylsulfanyl)prop-1-ene
diallyl sulfide
CAS: 592-88-1
Molecular Formula: C6H10S
3-(prop-2-en-1-ylsulfanyl)prop-1-ene - Names and Identifiers
| Name | diallyl sulfide |
| Synonyms | Allyl sulfide diallyl sulfide Dially sulphide 3,3'-thiobis-1-propen 3,3'-thiobis-1-Propene 1-propene,3,3'-thiobis- Bis(2-propenyl) sulfide 1-Propene, 3,3'-thiobis- 3-(Allylsulfanyl)-1-propene 3-(2-Propenylthio)propan-1-ene 3-Prop-2-enylsulfanylprop-1-ene 3-(prop-2-en-1-ylsulfanyl)prop-1-ene Diallyl Sulphide |
| CAS | 592-88-1 |
| EINECS | 209-775-1 |
| InChI | InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | UBJVUCKUDDKUJF-UHFFFAOYSA-N |
3-(prop-2-en-1-ylsulfanyl)prop-1-ene - Physico-chemical Properties
| Molecular Formula | C6H10S |
| Molar Mass | 114.21 |
| Density | 0.887g/mLat 25°C(lit.) |
| Melting Point | -83 °C |
| Boling Point | 138°C(lit.) |
| Flash Point | 115°F |
| JECFA Number | 458 |
| Water Solubility | Soluble in alcohol, chloroform, ether, and carbon tetrachloride. Insoluble in water. |
| Vapor Presure | 7 mm Hg ( 20 °C) |
| Vapor Density | 3.9 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,297 |
| BRN | 1736016 |
| Storage Condition | 2-8°C |
| Explosive Limit | 1.1%(V) |
| Refractive Index | n20/D 1.490(lit.) |
| Physical and Chemical Properties | Density 0.887 melting point -83°C boiling point 138°C refractive index 1.4879-1.4899 flash point 46°C |
| Use | For daily use, food flavor |
3-(prop-2-en-1-ylsulfanyl)prop-1-ene - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S23 - Do not breathe vapour. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 2 |
| RTECS | BC4900000 |
| TSCA | Yes |
| HS Code | 29309070 |
| Hazard Class | 3 |
| Packing Group | III |
3-(prop-2-en-1-ylsulfanyl)prop-1-ene - Upstream Downstream Industry
| Raw Materials | Sodium sulfide Sodium sulfide |
3-(prop-2-en-1-ylsulfanyl)prop-1-ene - Reference Information
| FEMA | 2042 | ALLYL SULFIDE |
| olfactory threshold (Odor Threshold) | 0.00022ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | diallyl sulfide refers to diallyl sulfide, diallyl disulfide, diallyl trisulfide and diallyl tetrasulfide, which are found in vegetables, onion spoilage decomposition bodies and crucian fruits. It is the main ingredient in garlic extract. It has strong anti-cancer, antiviral, and antibacterial activities, and can strongly inhibit platelet aggregation and enhance the body's immunity. Widely used in medical and health, feed and other industries. |
| preparation method | diallyl sulfide preparation mainly includes two ways-biological extraction method and chemical synthesis method. 1. biological extraction the more common biological extraction methods are steam distillation extraction, organic solvent extraction and supercritical CO2 extraction. Using water as a solvent and heating under a certain pressure to extract the soluble active components in natural products is called steam distillation extraction method. The advantages of this method are simple operation and suitable for extracting effective ingredients that are generally easier to extract; the disadvantages are that the extraction loss of heat-sensitive effective ingredients is large, the yield is low, and the effective ingredients in the extract are not easy to separate. the extraction process of allicin: the fermentation temperature is controlled to be 50~55 ℃, the fermentation time is 2~3h, garlic paste is added with water at about 1 ∶ 4, and distilled for 1.5h ~ 2h. the organic solvent extraction method is an organic solvent as a leaching agent, in a certain temperature, extraction time range to extract the effective components of natural products, usually the organic solvent used for methanol, ethanol, acetone, ether or a mixture of these solvents. The advantage of organic solvent extraction method over steam distillation extraction method is that the purity of the extract is higher, and it is one of the traditional extraction methods. ethanol with volume fraction of 95% is used as extraction solvent, and extractant is added according to the ratio of 1g: 4mL. firstly, under the condition that the temperature is set at 40 ℃, the enzymolysis time is 0.5h. Then, under the condition that the temperature is set at 30 ℃, the extraction is 1.5h. Finally, the temperature is set at 50 ℃, and allicin is concentrated and extracted under reduced pressure at a rotating speed of 4500r /min in a rotary steamer, the extraction rate can reach 0.24%. 2. chemical synthesis method Na2S2O3?5 H2O62g(0.25mol) and 3-bromopropene 24g(0.20mol) are mixed evenly in ethanol-water (Vethanol∶V water = 60 ∶ 40) and refluxed to homogeneous phase. Add 30mL of concentrated hydrochloric acid, reflux for 5h, let stand, separate the upper layer and add it to 100mL of 10% NaOH solution placed in an ice bath, add 80mL of 25% K3Fe(CN)6(6mmol) aqueous solution in several times under stirring, and finish after 2.5h. The organic layer is separated, anhydrous sodium sulfate is dried, desiccant is filtered out, and 6.6g of light yellow oil is obtained by recovering solvent. Figure 3 is the synthetic route |
| apply | as reagent. Used in medical and health, feed and other industries. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): beverage 0.04; Cold drink 0.06; Candy, 0.07; Baked products 0.05; Seasoning 13; Meat 3.7. FDA,§ 172.515: Limited to Moderate Amount. |
| Main reference materials | [1] Shen Panwen, editor-in-chief Wang Jitao. Compound dictionary. Shanghai: Shanghai Lexicographic Publishing House. 2002. Page 261. [2] Chu Yong, Zhao Minzheng, Xu Mingxia. Synthesis of diallyl sulfide compounds [J]. Synthetic Chemistry, 2001(06):541-542. [3] Sun Zhibo, Pan Bing, Ma Gan, Du Longyun. Research Progress of Diallyl Sulfide [J]. Coal & Chemical, 2015,38(03):26-27 84. |
| Use | Used as daily and edible essence |
| production method | GB 2760-2002 specified as allowed food spices. Mainly used to prepare onion, garlic, chili, radish, mustard and other flavors. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 2980 mg/kg |
| Explosive hazard characteristics | Explosive reaction with N-bromosuccinamide |
| flammability hazard characteristics | open flame is combustible; combustion emits toxic sulfur oxide smoke; toxic hydrogen sulfide vapor when exposed to heat or water vapor |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from food, oxidants, acids and water contents |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:41:03
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Raw Materials for 3-(prop-2-en-1-ylsulfanyl)prop-1-ene