2-Methyl-1-propanethiol 异丁硫醇

CAS 513-44-0 MFCD00004882

化学结构图

513-44-0
SMILES: CC(C)CS

化学属性

Mol. Formula(CH3)2CHCH2SH
Mol. Weight90
Refractive index1.4380 to 1.4410
Boiling Point88
Density0.831
Vapor Density3.1 (vs air)
Vapor Pressure124 mmHg ( 37.8 °C)
Melting Point-145 ºC
Flash Point-10°C(lit.)
Solubility微溶于水，易溶于乙醇、乙醚等。

别名和识别编码

Chemical Name2-Methyl-1-propanethiol
Synonym 1-Isobutanethiol 1-Mercaptoisobutane 1-Propanethiol,2-methyl- 1-propanethiol, 2-methyl- 2-METHYL-1-PROPANETHIOL 2-METHYL-1-PROPANETHIOL, TECH., 92% 2-Methyl-1-propanethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number513-44-0
PubChem Substance ID10558
EC Number208-162-6
Beilstein Registry Number1730890
MDL NumberMFCD00004882
Reaxys-RN1730890
Merck Number5147
Chemical Name Translation异丁硫醇
Wiswesser Line NotationSH1Y1&1
LabNetwork Molecule IDLN00164235
InChIInChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alkyl Thiols, Building Blocks, Chemical Synthesis,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alkyl Thiols, Building Blocks, Chemical Synthesis, Micro/NanoElectronics, Organic Building Blocks, Se

相关文献及参考

  • Merck: 14,5147
  • Merck: 14,5147 Beilstein:1,378
  • Short: III/38B
  • Short: IV/16
  • Short: IV/18B
  • Short: IV/1a

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes
RTECSTZ7630000
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • 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。
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • 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
  • P362+P364
  • P370+P378
  • 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
UN Number
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupII
Hazard Class3
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 917 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - excitement
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7168 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

其他信息

  • MSDS 信息:异丁硫醇(513-44-0).msds
  • 用途一:分析试剂。
  • 图谱信息:异丁硫醇(513-44-0)核磁图( 13 CNMR) 异丁硫醇(513-44-0)红外图谱(IR1) 异丁硫醇(513-44-0)核磁图( 1 HNMR) 异丁硫醇(513-44-0)质谱(MS)
  • FEMA:3874
  • 使用限量:FEMA(mg/kg)：焙烤制品、无醇饮料、早餐谷物、冷饮、调味汁、肉制品、乳制品、软糖、汤品、甜沙司，均0.1～5.0；调味香料3000~10000。
  • 异丁硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80026280 异丁硫醇 250ml 338.8元 2011/04/16 M0404 异丁硫醇 Isobutyl Mercaptan 500ML 3070元 2011/04/16 M0404 异丁硫醇 Isobutyl Mercaptan 25ML 366元
  • 可燃性危险特性:易燃; 燃烧放出有毒二氧化硫气体; 遇水放出可燃有毒含硫化物气体
  • 蒸气压:124 mm Hg ( 37.8 °C)
  • MOL 文件:513-44-0.mol
  • Sigma Aldrich:513-44-0(sigmaaldrich)
  • 方法一:由溴代异丁烷经下述步骤制取。硫脲和溴代异丁烷以甲醇为溶剂，回流反应4-5h，回收甲醇后加入碱液再回流4h，加稀酸至酸性，随即就有异丁硫醇蒸出，直至不再蒸为止。分去水层，油层用无水硫酸镁干燥后，分出干燥剂，进行分馏，收集85-86℃馏分即为成品。
  • 蒸气密度:3.1 (vs air)
  • 类别:易燃液体
  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥92% 相对密度(d 25 25 ) 0.829~0.836
  • 外观性质:无色液体，有强烈的特异气味。
  • 毒性:GRAS(FEMA)。
  • TCI Shanghai:异丁硫醇 Isobutyl Mercaptan,>;98.0%(GC)(513-44-0)
  • 毒性分级:低毒
  • 上游原料:硫脲 --> 干燥剂 --> 溴代异丁烷
  • 灭火剂:干粉, 二氧化碳, 1211, 砂土
  • 刺激数据:眼睛-兔子 84 毫克 中度
  • 爆炸物危险特性:与空气混合形成爆炸性混合物;
  • 储运特性:库房通风低温干燥; 与氧化剂, 酸类分开储运存放
  • F:13
  • 急性毒性:口服-大鼠 LD50: 7168 毫克/公斤

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. I-N - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  1. Materials Science 材料科学
  2. Micro/NanoElectronics - Materials Science
  3. Self Assembly & Contact Printing - Micro/NanoElectronics
  4. Self-Assembly Materials - Self Assembly & Contact Printing
  5. Thiols - Self-Assembly Materials
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Materials Science 材料科学
  2. Micro/NanoElectronics - Materials Science
  3. Self Assembly & Contact Printing - Micro/NanoElectronics
  4. Self-Assembly Materials - Self Assembly & Contact Printing
  5. Thiols - Self-Assembly Materials
  6. Alkyl Thiols - Thiols

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