알릴 아이소사이오사이아네이트

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알릴 아이소사이오사이아네이트 MSDS

Allyl isothiocyanate

알릴 아이소사이오사이아네이트 C화학적 특성, 용도, 생산

순도시험

  (1) 비중 : 이 품목의 비중은 1.013～1.020이어야 한다.

  (2) 굴절률 : 이 품목의 굴절률 은 1.527～1.531이어야 한다.

  (3) 이황화탄소, 석유, 정유 및 지방유류 : 이 품목 3mL에 황산 4mL를 냉각하면서 서서히 넣어 흔들어 섞을 때, 적색을 나타내거나 탁하여도 안되며 무색의 유적 또는 유액층을 나타내어서는 아니 된다.

  (4) 페놀류 및 치오시안산화합물 : 이 품목 1mL를 에탄올 5mL에 녹여 염화제이철시액 1방울을 넣을 때, 청색 또는 적색을 나타내어서는 아니 된다.

확인시험

  (1) 이 품목 3mL에 황산 4mL를 냉각하면서 서서히 넣어 흔들어 섞으면 가스가 발생되고 액은 황색 투명해지며 곧 점성으로 되는데 특이한 냄새는 없어진다.

  (2) 이 품목 2mL에 에탄올 3mL 및 암모니아시액 4mL를 넣어 약 50℃에서 가온한 후 방치하면 처음에는 투명하지만 약 3시간 후에는 결정이 생긴다.

정량법

  이 품목 약 3g을 정밀히 달아 에탄올에 녹여 100mL로 하고 그 중 5mL를 취하여 암모니아시액 5mL를 넣은 다음 0.1N 질산은용액 50mL를 넣어 환류냉각기를 부착한 수욕중에서 1시간 가열한다. 식힌 후 물을 넣어 100mL로 한 후 건조여과지를 사용하여 여과한다. 처음 여액 약 10mL를 버리고 다음 여액 50mL를 취해 질산 5mL 및 황산제이철암모늄시액 2mL를 넣어 과잉의 질산은을 0.1N 치오시안산암모늄용액으로 적정한다. 따로 같은 방법으로 공시험을 한다.

0.1N 질산은용액 1mL ＝ 4.958mg C₄H₅NS

화학적 성질

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.

출처

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).

용도

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.

제조 방법

By distillation of sodium thiocyanate and allyl chloride

일반 설명

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.

공기와 물의 반응

Flammable. Insoluble in water.

반응 프로필

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].

위험도

Toxic via ingestion, inhalation, skin con- tact; fire risk. Questionable carcinogen.

건강위험

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.

화재위험

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.

색상 색인 번호

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.

Anticancer Research

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).

Safety Profile

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.

잠재적 노출

Used in fumigants, veterinary drugs, ointments and counter irritants, mustard plasters, and as a flavoring agent.

운송 방법

UN1545 Allyl isothiocyanate, stabilized, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3 flammable liquids.

Purification Methods

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.]

비 호환성

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, amines

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