CAS 57-06-7 MFCD00004822-Allyl Isothiocyanate 异硫氰酸烯丙酯 TAO{mole}

Allyl Isothiocyanate 异硫氰酸烯丙酯

CAS 57-06-7 MFCD00004822

化学结构图

SMILES: C=CCN=C=S

化学属性

Mol. Formula	C4H5NS
Mol. Weight	99
Boiling Point	150
Refractive index	n20/D 1.529(lit.)
Density	1.013
Melting Point	-80
Flash Point	46 ºC
TSCA	Yes
Solubility	2 G/L (20 ºC)

别名和识别编码

Chemical Name	Allyl Isothiocyanate
CAS Number	57-06-7
Alfabeta Name	ALLYLISOTHIOCYANATE
MDL Number	MFCD00004822
Synonym	1-propene, 3-isothiocyanato- 2-Propenylisothiocyanat 2-propenyl isothiocyanate 3-ISOTHIOCYANATO-1-PROPENE 3-Isothiocyanato-1-propene 3-iso-Thiocyanatoprop-1-ene 3-isothiocyanato-1-propen 3-isothiocyanato-1-propene 3-isothiocyanato-prop-1-ene 3-isothiocyanato-propen 3-isothiocyanato-propene 3-isothiocyanatopropene 3-异硫氰基-1-丙烯 AITC ALLYL ISOTHIOCYANATE Allyl isorhodanide Allyl isosulfocyanate Allyl isosulphocyanate Allyl isothiocyanate Allyl isothiocyanate, non-perfume grade Allyl mustard oil Allyl sevenolum Allyl thioisocyanate Allylisocyanat Allylisothiokyanat Allylse Allylsenfoel {uni_ham
PubChem Substance ID	5971
EC Number	200-309-2
Beilstein Registry Number	773748
Merck Number	14,295
Chemical Name Translation	异硫氰酸烯丙酯
Wiswesser Line Notation	SCN2U1
LabNetwork Molecule ID	LN00159323
InChI	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

分类

{uni_hamburg} no charge; 1fragment
{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
{SA} Armoracia rusticana (Horseradish), Building Blocks, Chemical Synthesis, Nutrition Research, Organic Building Blocks,
76/768/EEC Annex VIII, A, A-B, AA to AL, Allergens, Alpha sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Application, Chromatography, Cosmetic Standards, Cosmetics, Environmental Standards, European Community: ISO, DIN and DL 152, Method Specific, Other Additives, Other Allergens, Pesticides & Metabolites, Proposed Banning
{SNA} A-B,

安全信息

Warnings TOXIC, FLAMMABLE 危险化学品

GHS Symbol

WGK Germany3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H301 Toxic if swallowed 吞食有毒
H301+H331
H302 Harmful if swallowed 吞食有害
H310 Fatal in contact with skin 皮肤接触致命
H311 Toxic in contact with skin 皮肤接触中毒
H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H330 Fatal if inhaled 吸入致命
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
H335 May cause respiratory irritation 可能导致呼吸道刺激
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。

Hazard Codes T,N

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P310
P301+P312
P302+P350
P302+P352
P303+P361+P353
P304+P340
P305+P351+P338
P308+P313
P309+P311
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P333+P313
P337+P313
P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P370+P378
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P403+P233
P403+P235
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word

RTECSNX8225000

UN Number UN1545 UN 1545 6.1/PG 2

Risk Statements

R10 Flammable 易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R50/53
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R42/43

Safety Statements

Storage condition Moisture Sensitive 2-8°C

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Packing GroupII

Hazard Class6.1

Restrict 剧毒化学品

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 12875 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-234,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12 gm/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - increased incidence of tumors in susceptible strains
   Tumorigenic - facilitates action of known carcinogen
REFERENCE :
   AICCA6 Acta Unio Internationalis Contra Cancrum.  (Louvain, Belgium) V.1-20,
   1936-64.  For publisher information, see IJCNAW. Volume(issue)/page/year:
   11,699,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kil

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TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 16,870,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 5,505,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 112 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.

TYPE OF TEST            : LDLo -

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 112 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 219,119,1953

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Inhalation
TES

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 400 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   12,85,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   KEKHB8 Kanagawa-ken Eisei Kenkyusho Kenkyu Hokoku.  Bulletin of Kanagawa
   Prefectural Public Health Laboratories.  (Kanagawa-ken Eisei Kenkyusho,
   52-2, Nakao-cho, Asahi-ku, Yokohama 241, Japan) No.1-    1971-
   Volume(issue)/page/year: (9),11,1979

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 4 mg/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   22,623,1984

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   FOMIAZ Folia Microbiologica (Prague).  (Academia, Vodickova 40, 112 29
   Prague 1, Czechoslavakia) V.4-    1959-  Volume(issue)/page/year: 27,25,1982

TYPE OF TE

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 8-9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,159,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 mg/kg
SEX/DURATION            : female 8-9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,159,1980

其他信息

Sigma Aldrich:57-06-7(sigmaaldrich)
参考质量标准:FCC，1996 含量 ≥93.0% 相对密度(d 25 25 ) 1.013～1.020 折射率(ri D 20 ) I.527～1.531 馏程 148～154℃ 酚类试验阴性烯丙基含量(GT-10-4中非极性柱法) ≤0.1%
急性毒性:口服-大鼠 LD50: 112 毫克/公斤; 口服-小鼠 LD50: 308 毫克/公斤
MOL 文件:57-06-7.mol
Acros Organics:异硫氰酸烯丙酯 Allyl isothiocyanate, stabilized, 94%(57-06-7)
食品添加剂最大允许使用量最大允许残留量
Alfa Aesar:异硫代氰酸烯丙酯,94% Allyl isothiocyanate, 94%, stab.(57-06-7)
上游原料:硫氰酸铵 --> 硫氰酸钾 --> 3-溴丙烯 --> 天然芥菜籽油 --> 丙烯酰碘
异硫氰酸烯丙酯价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 102950050 异硫氰酸烯丙酯 Allyl isothiocyanate 94%, stabilized with 0.01% alpha-tocopherol 5 GR 240元 2010/06/21 102955000 异硫氰酸烯丙酯 Allyl isothiocyanate 94%, stabilized with 0.01% alpha-tocopherol 500 GR 1014元 2010/06/21 102951000 异硫氰酸烯丙酯 Allyl isothiocyanate 94%, stabilized with 0.01% alpha-tocopherol 100 GR 269元
图谱信息:异硫氰酸烯丙酯(57-06-7)红外图谱(IR1) 异硫氰酸烯丙酯(57-06-7)质谱(MS) 异硫氰酸烯丙酯(57-06-
灭火剂:干粉、泡沫、二氧化碳、砂土。(禁用酸碱灭火剂)。
用途一:用作油膏和芥子硬膏的抗刺激剂，也用于有机合成
含量分析:准确称取试样约3g，加乙醇溶解后定容至100ml。取该液5ml，加氨试液(FS-13)5ml，再加0.1mol/L硝酸银50ml，装上回流冷凝器，在水浴上加热1h，冷却后加水定容至100ml，经干燥滤纸过滤。弃掉约10ml初滤液，准确量取中间段滤液50ml，加硝酸5ml和硫酸铁铵试液(TS-99)2ml，剩余硝酸银用0.1mol/L硫氰酸铵液滴定。同时用5ml乙醇代替试样进行空白试验。每Ml
用途二:用于制备食品添加剂、医药、杀虫剂、杀菌剂等
海关编码:29309070
刺激数据:眼睛-兔子 2 毫克中度
下游产品:阿苯达唑 --> 杀菌性胶粘剂 --> 杀螟丹 --> 烯丙基硫脲 --> 杀菌灭藻剂284 --> S-15杀菌灭藻剂 --> 非氧化性杀菌灭藻剂 --> YTS-20高效低毒杀生剂 --> C-38杀菌剂 --> CW-0301杀菌灭藻剂 --> SQ8杀菌灭藻剂 --> 杀菌剂PC-3
F:8-9-13-19
方法二:将烯丙基碘或烯丙基溴与硫氰酸钾溶于乙醇加热，待卤化钾完全析出后，加水，将异硫氰酸烯丙酯析出，蒸馏精制。实际收率为理论值的65%-70%。
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用途四:主要用于食品方面，除用于合成芥末外，还可用于辣酱油类、肉类（肉食加工品）、醋腌食品以及其他调味品。一般不用其原品而稀释使用。如醋腌食品，其用量为腌汁的10万-40万分之一左右。在医药方面，如少量内服，由于刺激中枢神经而有兴奋作用，所以可用作晕厥、假死期的药物。另外还可用作助消化药、牙痛药、头痛药、催吐药。作为杀菌剂，对于淋球菌浓度为4000-32000分之一，对于链球菌为1/40000。另外还具有防霉或防腐蚀的作用。其效力与安息香酸、二氧化硫相同。此外，该品用于有机合成中间体、重氮感光纸助剂、杀虫剂及杀菌剂等方面。