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알릴 아이소사이오사이아네이트

알릴 아이소사이오사이아네이트
알릴 아이소사이오사이아네이트 구조식 이미지
카스 번호:
알릴 아이소사이오사이아네이트
Allyl isothiocyanate
AITK;Redskin;senfoel;Senf oel;carbospol;FEMA 2034;NCI-C50464;femano.2034;Allylsenfoel;Allylsenevol
포뮬러 무게:
MOL 파일:

알릴 아이소사이오사이아네이트 속성

-80 °C
끓는 점
151 °C
1.013 g/mL at 25 °C(lit.)
n20/D 1.529(lit.)
115 °F
저장 조건
물리적 상태
Fine Crystalline Powder
2 g/L (20 ºC)
Moisture Sensitive
JECFA Number
Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging.
CAS 데이터베이스
57-06-7(CAS DataBase Reference)
Allyl isothiocyanate(57-06-7)
1-Propene, 3-isothiocyanato-(57-06-7)
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 T,N
위험 카페고리 넘버 10-24/25-36/37/38-42/43-50/53-43-23/24/25-34-25
안전지침서 26-36/37-45-60-61-36/37/39-28B-24-16-23-7/8
유엔번호(UN No.) UN 1545 6.1/PG 2
WGK 독일 3
RTECS 번호 NX8225000
F 고인화성물질 8-9-13-19
위험 등급 6.1
포장분류 II
HS 번호 29309070
유해 물질 데이터 57-06-7(Hazardous Substances Data)
독성 LD50 orally in rats: 339 mg/kg (Jenner)
신호 어:
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H226 인화성 액체 및 증기 인화성 액체 구분 3 경고
H301 삼키면 유독함 급성 독성 물질 - 경구 구분 3 위험 P264, P270, P301+P310, P321, P330,P405, P501
H310 피부와 접촉하면 치명적임 급성 독성 물질 - 경피 구분 1,2 위험 P262, P264, P270, P280, P302+P350,P310, P322, P361, P363, P405, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 P264, P280, P302+P352, P321,P332+P313, P362
H318 눈에 심한 손상을 일으킴 심한 눈 손상 또는 자극성 물질 구분 1 위험 P280, P305+P351+P338, P310
H331 흡입하면 유독함 급성 독성 물질 흡입 구분 3 위험 P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고
H400 수생생물에 매우 유독함 수생 환경유해성 물질 - 급성 구분 1 경고 P273, P391, P501
H410 장기적 영향에 의해 수생생물에 매우 유독함 수생 환경유해성 물질 - 만성 구분 1 경고 P273, P391, P501
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P273 환경으로 배출하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P309 노출되었거나 몸이 편치 않은 경우
P310 즉시 의료기관(의사)의 진찰을 받으시오. 삼켰다면 즉시 의료기관(의사)의 도움을 받으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.

알릴 아이소사이오사이아네이트 MSDS

Allyl isothiocyanate

알릴 아이소사이오사이아네이트 C화학적 특성, 용도, 생산

화학적 성질

colourless or light amber oily liquid

화학적 성질

Allyl isothiocyanate is a highly flammable, colorless to pale yellow, oily liquid. Air contact may cause darkening. Pungent, irritating odor and acrid taste

화학적 성질

Allyl Isothiocyanate is the main component of mustard oil (>95%). It is a colorless oil with a typical mustard odor and can be prepared by reacting allyl chloride with alkaline-earth or alkali rhodanides.

화학적 성질

A colorless liquid with very pungent, irritating odor and acrid taste; lacrimatory


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).


Allyl Isothiocyanate is a synthetic flavoring agent that is a moder- ately stable, colorless to pale yellow liquid of pungent and irritating odor. it should be stored in glass containers. it is used as an artificial oil of mustard and as an imitation horseradish flavor with applica- tion in condiments, meats, and pickles at 87 ppm. it is also termed mustard oil.


antiseptic, antiamebic


manufacture of flavors; 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.

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].


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


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.


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

알릴 아이소사이오사이아네이트 준비 용품 및 원자재


준비 용품

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