Аллил изотиоцианат
- английское имяAllyl isothiocyanate
- CAS №57-06-7
- CBNumberCB8853857
- ФормулаC4H5NS
- мольный вес99.16
- EINECS200-309-2
- номер MDLMFCD00004822
- файл Mol57-06-7.mol
химическое свойство
| Температура плавления | -80 °C |
| Температура кипения | 151 °C |
| плотность | 1.013 g/mL at 25 °C(lit.) |
| FEMA | 2034 | ALLYL ISOTHIOCYANATE |
| показатель преломления | n |
| Fp | 115 °F |
| температура хранения | 2-8°C |
| растворимость | Chloroform (Sparingly), Methanol (Slightly) |
| форма | Fine Crystalline Powder |
| цвет | White |
| Запах | at 0.01 % in propylene glycol. strong pungent mustard |
| Odor Type | sulfurous |
| Биологические источники | synthetic |
| Растворимость в воде | 2 g/L (20 ºC) |
| Чувствительный | Moisture Sensitive |
| Мерк | 14,295 |
| Номер JECFA | 1560 |
| БРН | 773748 |
| Диэлектрическая постоянная | 17.199999999999999 |
| Стабильность | Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging. |
| LogP | 2.15 |
| Вещества, добавляемые в пищу (ранее EAFUS) | ALLYL ISOTHIOCYANATE |
| Специальный комитет по веществам GRAS | Allyl isothiocyanate Mustard and Oil of Mustard (Brown and Yellow) |
| FDA 21 CFR | 310.545 |
| Справочник по базе данных CAS | 57-06-7(CAS DataBase Reference) |
| FDA UNII | BN34FX42G3 |
| МАИР | 3 (Vol. 73, Sup 7) 1999 |
| Справочник по химии NIST | Allyl isothiocyanate(57-06-7) |
| Система регистрации веществ EPA | Allyl isothiocyanate (57-06-7) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
больше
| Коды опасности | T,N | |||||||||
| Заявления о рисках | 10-24/25-36/37/38-42/43-50/53-43-23/24/25-34-25 | |||||||||
| Заявления о безопасности | 26-36/37-45-60-61-36/37/39-28B-24-16-23-7/8 | |||||||||
| РИДАДР | UN 1545 6.1/PG 2 | |||||||||
| WGK Германия | 3 | |||||||||
| RTECS | NX8225000 | |||||||||
| F | 8-9-13-19 | |||||||||
| TSCA | Yes | |||||||||
| Класс опасности | 6.1 | |||||||||
| Группа упаковки | II | |||||||||
| кода HS | 29309070 | |||||||||
| Банк данных об опасных веществах | 57-06-7(Hazardous Substances Data) | |||||||||
| Токсичность | LD50 orally in rats: 339 mg/kg (Jenner) | |||||||||
| NFPA 704: |
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рисовальное письмо(GHS)
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рисовальное письмо(GHS)
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сигнальный язык
опасность
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вредная бумага
H302：Вредно при проглатывании.
H317：При контакте с кожей может вызывать аллергическую реакцию.
H314：При попадании на кожу и в глаза вызывает химические ожоги.
H226：Воспламеняющаяся жидкость. Пары образуют с воздухом взрывоопасные смеси.
H410：Чрезвычайно токсично для водных организмов с долгосрочными последствиями.
H310+H330：Смертельно при попадании на кожу или при вдыхании.
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оператор предупредительных мер
P210：Беречь от тепла, горячих поверхностей, искр, открытого огня и других источников воспламенения. Не курить.
P273：Избегать попадания в окружающую среду.
P280：Использовать перчатки/ средства защиты глаз/ лица.
P303+P361+P353：ПРИ ПОПАДАНИИ НА КОЖУ (или волосы): Снять/удалить немедленно всю загрязненную одежду. Промыть кожу водой.
P304+P340+P310：ПРИ ВДЫХАНИИ: Свежий воздух, покой. Немедленно обратиться за медицинской помощью.
P305+P351+P338：ПРИ ПОПАДАНИИ В ГЛАЗА: Осторожно промыть глаза водой в течение нескольких минут. Снять контактные линзы, если Вы ими пользуетесь и если это легко сделать. Продолжить промывание глаз.
Аллил изотиоцианат химические свойства, назначение, производство
Химические свойства
Allyl Isothiocyanate is the main component of mustard oil (>95%). It is a highly flammable, colorless to pale yellow, oily liquid with a typical mustard odor. Exposure to air might cause it to darken. It has a pungent, irritating smell and a bitter taste that can cause lacrimatory. It can be synthesized by reacting allyl chloride with alkaline-earth or alkali rhodanides.Вхождение
In the essential oil from seeds of Brassica nigra Koch, Brassica juncea Hook. and Thoms., and Thlaspi arvense; in the essential oil from roots of Cochlearia armoracia; in the seeds and roots of Alliaria officinalis; in onion juice; and in the seeds of various Cruciferae. Reported found in pineapple (Anans comoscus), raw cabbage, cooked cabbage, sauerkraut, milk, heated beans, horseradish (Armoracia lapathifolia), raw cauliflower, Brussels sprouts, turnip, Chinese cabbage, wasabi (Japanese horseradish) (Wasabi japonica).Использование
Allyl isothiocyanate, also known as mustard oil, is a synthetic flavoring agent that is used as an artificial oil of mustard and as an imitation horseradish flavor with application in condiments, meats, and pickles at 87 ppm. It has additional applications as an antiseptic, antiamebic, manufacture of flavors and war gas.Методы производства
Producted from Allyl iodide and Potassium sulfocyanide. Allyl isothiocyanate is the chief component of the volatile oil of black Mustard seed, and can be isolated by enzymatic breakdown of the glycoside in the seed.Подготовка
By distillation of sodium thiocyanate and allyl chlorideОбщее описание
A colorless to pale-yellow oily liquid with an irritating odor. Flash point 135°F. Boiling point 300°F. Poisonous by ingestion and skin absorption. Emits toxic fumes when heated to high temperature. Insoluble in water and slightly denser than water. Hence sinks in water. Used to make other chemicals and as a fumigant. It should be stored in glass containers.Реакции воздуха и воды
Flammable. Insoluble in water.Профиль реактивности
A routine preparation by interaction of allyl chloride and sodium thiocyanate in an autoclave at 5.5 bar exploded violently at the end of the reaction. Peroxides were not present or involved and no other cause could be found, but extensive decomposition occurred when allyl isothiocyanate was heated to 250°C. in glass ampoules [Ind. Eng. Chem. 1941:19 1408].Опасность
Extremely penetrating, pungent and stinging odor. This chemical is a powerful Iachrymator, and inhalation of its vapors may cause serious damage to human lungs. The liquid and its vapors produce blisters on the human skin. A few grams may kill a man, if the oil is taken internally.Угроза здоровью
TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.Пожароопасность
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.Контактные аллергены
Allyl isothiocyanate is generated by enzymatic hydrolysis of the glucoside sinigrin, present in Cruciferae- Brassicaceae, mainly the oil from black mustard seed (Brassica nigra Koch). It may induce irritant and sometimes allergic contact dermatitis, mimicking the “tulip finger” dermatitis.разработк И противоопухолевых препаратов
This compound was tested on Ehrlich ascites tumor cells transplanted in Swissalbino mice using HEK293 cells as control. There was a significantly reduced ascitessecretion and tumor cell proliferation. Also the vascular endothelial growth factorexpression was inhibited. The apoptosis was induced in tumor cells, and cellcycle was arrested at G1 phase (Ichwan et al. 2014).Профиль безопасности
Suspected carcinogen with experimental neoplastigenic and tumorigenic data. Poison by ingestion, skin contact, intravenous, subcutaneous, and intraperitoneal routes. Experimental teratogenic and reproductive effects. An eye irritant. An allergen. May cause contact dermatitis. Mutation data reported. A flammable liquid. Highly reactive. When heated to decomposition (above 250') or on contact with acid or acid fumes it emits highly toxic fumes of CN-, SO,, and NOx. To fight fire, use foam, CO2, dry chemical. See also ALLYL COMPOUNDS and ESTERS.Возможный контакт
Used in fumigants, veterinary drugs, ointments and counter irritants, mustard plasters, and as a flavoring agent.Перевозки
UN1545 Allyl isothiocyanate, stabilized, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3 flammable liquids.Методы очистки
Fractionate the isothiocyanate using an efficient column, preferably in a vacuum. It is a yellow pungent, irritating and TOXIC (suspected CARCINOGEN) liquid. Store it in a sealed tube under N2. The N'-benzylthiourea derivative has m 94.5o (from aqueous EtOH) [Weller et al. J Am Chem Soc 74 1104 1952]. [Beilstein 4 IV 1081.]Несовместимости
Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, alcohols, aminesАллил изотиоцианат запасные части и сырье
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