3-Methyl-1-Butanethiol 3-甲基-1-丁硫醇

CAS 541-31-1 MFCD00004899

化学结构图

541-31-1
SMILES: CC(C)CCS

化学属性

Mol. FormulaC5H12S
Mol. Weight104.21
Refractive index1.4430 to 1.4460
Boiling Point117-118
Density0.835
Vapor Pressure41.4 mmHg ( 37.7 °C)
Flash Point19°C(lit.)
TSCAYes
Solubility不溶于水，溶于醇。
Stability对空气敏感

别名和识别编码

Chemical Name3-Methyl-1-Butanethiol
Synonym 2-Methyl-4-butanethiol 3,3-dimethyl-1-propanethiol 3-METHYL-1-BUTANETHIOL 3-METHYLBUTANETHIOL 3-Methyl-1-butanethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number541-31-1
PubChem Substance ID87571537
EC Number208-774-3
MDL NumberMFCD00004899
Beilstein Registry Number635659
Chemical Name Translation3-甲基-1-丁硫醇
Reaxys-RN635659
LabNetwork Molecule IDLN00163449
InChIInChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
Canonical SMILESCC(C)CCS
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分类

  • {SA} Alkyl Thiols, Building Blocks, Chemical Synthesis, Materials Science, Micro/NanoElectronics, Organic Building Blocks, Self Assembly & Contact Printing, Self-Assembly Materials, Sulfur Compounds, Thiols, Thiols/Mercaptans
  • {SNA} Alphabetical Listings, Flavors and Fragrances,

产品应用

  • 用于合成硫的有机化合物。

相关文献及参考

  • Beilstein:1,405

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 1228 3336 UN 1228 3/PG 2 UN1111
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Storage condition +4°C +4℃ 4 4℃ Air Sensitive Flammables area
Hazard Class3
Warnings 危化品目录(2015) 危险化学品

其他信息

  • 灭火剂:干粉、干砂、二氧化碳、泡沫
  • FEMA:3858
  • 蒸气压:41.4 mm Hg ( 37.7 °C)
  • Alfa Aesar:异戊酯硫醇,97% Isopentyl mercaptan, 97%(541-31-1)
  • MSDS 信息:异戊硫醇(541-31-1).msds
  • 外观性质:水白色到淡黄色液体，有不愉快的气味。
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 受热、遇酸分解有毒硫氧化物气体
  • 敏感性:Air Sensitive
  • MOL 文件:541-31-1.mol
  • TCI Shanghai:3-甲基-1-丁硫醇 Isoamyl Mercaptan,>;90.0%(GC)(541-31-1)
  • 类别:易燃液体
  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥97% 相对密度(d 25 25 ) 0.831～0.838
  • 图谱信息:异戊硫醇(541-31-1)红外图谱(IR1) 异戊硫醇(541-31-1)质谱(MS) 异戊硫醇(541-31-1)核磁图( 13 CNMR) 异戊硫醇(541-31-1)核磁图( 1 HNMR)
  • Acros Organics:3-甲基-1-丁硫醇 3-Methyl-1-butanethiol, 96%(541-31-1)
  • 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0.2～2.0。
  • 有不愉快的气味。不溶于水，溶于醇。
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
  • 异戊硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0149 异戊基硫醇 Isoamyl Mercaptan 250ML 3840元 2014/06/02 I0149 异戊基硫醇 Isoamyl Mercaptan 25ML 591元 2010/06/21 152051000 异戊硫醇 3-Methyl-1-butanethiol 96% 100 GR 3388元
  • Sigma Aldrich:541-31-1(sigmaaldrich)
  • 用途一:用于合成硫的有机化合物。
  • 毒性:GRAS(FEMA)。

系列性分类

  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. 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. Thiol/Mercaptan Salts - 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
  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. Thiol/Mercaptan Salts

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