1-Butanethiol 正丁硫醇

CAS 109-79-5 MFCD00004905

化学结构图

109-79-5
SMILES: CCCCS

化学属性

Mol. FormulaC4H10S
Mol. Weight90.18
Refractive index1.4410 to 1.4450
Boiling Point98°C
Density0.84
Melting Point-116
Flash Point2°C(lit.)
TSCAYes
Vapor Density3.1 (vs air)
Vapor Pressure83 mmHg ( 37.7 °C)
Solubility微溶于水，易溶于乙醇、乙醚等。
Stability对空气敏感
pH:A

别名和识别编码

Chemical Name1-Butanethiol
Synonym butane-1-thiol n-Butylthiol C4 硫醇 丁基硫醇 butylmercaptan(non-specificname) n-Butyl thioalcohol 正丁硫醇，1-硫代丁醇 butylsulfhydrate BUTANETHIOL Butylmercaptan n-Butyl mercaptan N-butyl mercaptan 1-丁硫醇 n-butyl hydrosulphide 1-butanethiol[qr] butanethiol(non-specificname) Butan-1-thiol NCI-C60866 Butyl mercaptan, Mercaptan C4 1-硫代丁醇 1-BUTANETHIOL 1-butanethiol butanethiol[qr] FEMA 3478 硫代丁醇 N-BUTYL MERCAPTAN BUTYL MERCAPTAN 1-硫代丁醇,丁硫醇,1-丁硫醇 丁琉醇
CAS Number109-79-5
PubChem Substance ID8012
EC Number203-705-3
Beilstein Registry Number1,370
MDL NumberMFCD00004905
Reaxys-RN1730908
Merck Number1577
Chemical Name Translation正丁硫醇
Wiswesser Line NotationSH4
LabNetwork Molecule IDLN00163132
InChIInChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
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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} Alkyl Thiols, Building Blocks, Chemical Synthesis, Micro/NanoElectronics, Organic Building Blocks, Self Assembly & Contact Printing, Self-Assembly Materials, Sulfur Compounds, Thiols, Thiols/Mercaptans, 材料科学
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards,
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards, Animal Products, B,
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Mercaptans

产品应用

  • 用作溶剂、有机合成中间体。

相关文献及参考

  • Short: II/27B
  • Merck:14,1577
  • Merck:14,1577 Beilstein:1,370
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
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
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302+H332
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes
RTECSEK6300000
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P301+P312+P330
  • P304+P340
  • P302+P352
  • P337+P313
  • P403+P233
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P304+P340+P312
  • P305+P351+P338+P337+P313
  • P308+P311
  • P241+P242+P243
  • P405 Store locked up. 上锁保管。
Signal word
Safety Statements
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
UN Number 2347
Storage condition Flammables area Air Sensitive
Packing GroupII
Hazard Class3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
   Behavioral - coma
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            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 ppm/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
   Behavioral - somnolence (general depressed activity)
   Sense Organs and Special Senses (Eye) - lacrimation
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            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 770 ppm/30M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,982,1986

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4020 ppm/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
   Behavioral - somnolence (general depressed activity)
   Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
   AIHAAP American Industrial Hygien

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 68 ppm/6H
SEX/DURATION            : female 6-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   8,170,1987

Restrict 危险品

其他信息

  • FEMA:3478
  • 有恶臭 ,溶解性 微溶于水，易溶于乙醇、乙醚等,
  • 毒性分级:中毒
  • 方法一:由溴丁烷与硫脲反应而得。硫脲、溴丁烷在甲醇溶剂中加热回流3h，回收甲醇后加入稀碱液再继续回流6h。冷却，慢慢加入1：2稀硫酸至pH2，随着稀硫酸的加入，就有丁硫醇蒸出。加完硫酸后通水蒸气蒸馏，蒸至无油珠馏出为止。分取油层，用无水氯化钙干燥，分馏收集97-98℃馏分即为成品。
  • MOL 文件:109-79-5.mol
  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥98% 折射率(n D 20 ) 1.444～1.452 相对密度(d 25 25 ) 0.842~0.847 醇中溶解度(OT-43) lmI溶于1mI。95%乙醇
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 受热或遇酸分解有毒硫化物气体
  • TCI Shanghai:正丁硫醇 1-Butanethiol,>;97.0%(GC)(109-79-5)
  • Sigma Aldrich:109-79-5(sigmaaldrich)
  • MSDS 信息:正丁硫醇(109-79-5).msds
  • Acros Organics:1-丁硫醇 1-Butanethiol, 99+%(109-79-5)
  • 蒸气密度:3.1 (vs air)
  • F:10-13-23
  • 类别:易燃液体
  • 储运特性:库房通风低温干燥; 防热, 明火, 火花; 与氧化剂、酸类分开存放
  • Alfa Aesar:1-丁硫醇,98% 1-Butanethiol, 98%(109-79-5)
  • 蒸气压:83 mm Hg ( 37.7 °C)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 正丁硫醇 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 毒性:GRAS(FEMA)。
  • 用途二:GB 2760-96规定为允许使用的食品用香料。主要用于干酪、牛肉、鸡蛋、洋葱、大蒜等制品。
  • 职业标准:TWA 1.5 毫克/ 立方米; STEL 4.5 毫克/立方米
  • 图谱信息:丁硫醇(109-79-5)质谱(MS) 丁硫醇(109-79-5)核磁图( 13 CNMR) 丁硫醇(109-79-5)核磁图( 1 HNMR) 丁硫醇(109-79-5)红外图谱(IR1)
  • 急性毒性:口服- 大鼠 LD50: 1500 毫克/ 公斤; 口服- 小鼠 LD50:3000 毫克/ 公斤
  • 灭火剂:泡沫
  • 用途一:用于合成橡胶工业
  • 敏感性:Air Sensitive
  • 上游原料:无水氯化钙 --> 稀硫酸 --> 溴丁烷 --> 甲醇溶剂
  • 丁硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0685 1-丁硫醇 1-Butanethiol 25ML 187元 2014/06/02 B0685 1-丁硫醇 1-Butanethiol 500ML 449元 2010/06/21 220620050 丁硫醇 1-Butanethiol 99+% 5 ML 101元
  • 使用限量:FEMA：肉和肉制品、汤品、调味品、腌制品，均0.02mg/kg。
  • 刺激数据:眼睛- 兔子 83 毫克 中度
  • 爆炸物危险特性:与硝酸反应激烈
  • 用途三:有机合成中间体；警告剂。
  • 外观性质:无色液体，有恶臭。

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. A-B - 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. 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
  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
  1. Functional Group 官能团索引
  2. alkylthiol

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