N-Butyl Sulfide 正丁基硫醚

CAS 544-40-1 MFCD00009468

化学结构图

544-40-1
SMILES: CCCCSCCCC

化学属性

Mol. FormulaC8H18S
Mol. Weight146.29
Density0.838
Refractive index1.4510 to 1.4540
Vapor Density5.07 (vs air)
Boiling Point188-189 °C at 760 mmHg
Vapor Pressure5.17 mmHg ( 37.7 °C)
Melting Point-76 °C
Flash Point76°C(lit.)
TSCAYes
Appearance 天然品存在于葱蒜类蔬菜中。 无色液体，高浓度时有强烈的硫气息，高度稀释时呈紫罗兰叶香气。沸点182～189℃，闪点60℃，凝固点-11℃。易溶于乙醚和乙醇，不溶于水。

别名和识别编码

Chemical NameN-Butyl Sulfide
Synonym Dibutyl sulfide {LY} Dibutyl sulfide {} {LY} Dibutyl sulfide {} {} {LY} Dibutyl sulfide {} {} {} {LY} Dibutyl sulfide {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
CAS Number544-40-1
EC Number208-870-5
Beilstein Registry Number1732829
MDL NumberMFCD00009468
PubChem Substance ID11002
Merck Number1590
Reaxys-RN1732829
Chemical Name Translation正丁基硫醚
Wiswesser Line Notation4S4
LabNetwork Molecule IDLN00162979
InChIInChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
Canonical SMILESCCCCSCCCC
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds
  • {uni_hamburg} no charge; sulfide; 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
  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains th

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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。
  • 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。
  • 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。
  • P301+P310
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P332+P313
  • P337+P313
  • 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
  • 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.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H301 Toxic if swallowed 吞食有毒
  • H303 May be harmfully swallowed 吞食可能有害
  • H305 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSER6417000
Packing GroupIII
UN Number UN3334 2810
Hazard Codes Xi
Hazard Class6.1(b) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,769,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,765,1979

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • 毒性分级:中毒
  • 用途一:用作日用、食用香精
  • MOL 文件:544-40-1.mol
  • 蒸气密度:5.07 (vs air)
  • 类别:有毒物质
  • 蒸气压:5.17 mm Hg ( 37.7 °C)
  • 海关编码:29309070
  • 用途二:GB 2760一96规定为允许使用的食用香料。主要用于配制葱蒜类、花香型及果香型香精。
  • 使用限量:FEMA(mg/kg)：软饮料0.02～1.0；冷饮0.01～1.0；糖果和焙烤食品0.03～1.0。
  • 刺激数据:皮肤-兔 500 毫克/24小时 中度
  • Acros Organics:正丁基硫醚 n-Butyl sulfide, pure, 99%(544-40-1)
  • 毒性:GRAS(FEMA)。
  • 可燃性危险特性:热分解有毒硫氧化物烟雾
  • 方法一:由溴丁烷和硫化钠在沸腾乙醇中反应制取。
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:丁基硫醚 Butyl Sulfide,>;95.0%(GC)(544-40-1)
  • MSDS 信息:Butyl sulfide(544-40-1).msds
  • 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） 二丁基硫醚 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
  • 参考质量标准:FAO/WHO，1999 折射率(n D 20 ) 1.448～1.458 相对密度(d 20 20 ) 0.834～0.843 含量≥ 99%(气相色谱法)
  • 上游原料:硫化钠 --> 溴丁烷 --> 九水硫化钠
  • Alfa Aesar:丁硫醚,98% Di-n-butyl sulfide, 98%(544-40-1)
  • 方法二:由溴丁烷和硫化钠在沸腾乙醇中反应制得。
  • 急性毒性:口服-大鼠 LD50: 2220 毫克/公斤; 吸入-小鼠 LCL0: 1800 毫克/立方米
  • 图谱信息:二丁基硫醚(544-40-1)质谱(MS) 二丁基硫醚(544-40-1)核磁图( 1 HNMR) 二丁基硫醚(544-40-1)红外图谱(IR1) 二丁基硫醚(544-40-1)核磁图( 13 CNMR)
  • 二丁基硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 AB10179602 二丁基硫醚 96％ 100ml 578元 2011/08/23 K3484001 丁基硫醚 100ml 500元 2011/04/16 B0740 丁基硫醚 Butyl Sulfide 25ML 146元
  • FEMA:2215
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • Sigma Aldrich:544-40-1(sigmaaldrich)
  • F:13
  • 用途三:该品是我国GB 2760-86规定为允许使用的食用香料。主要用于配制葱蒜类、花香型及果香型香精。

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. A-D - Kosher Certified Products
  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. 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. Sulfides/Disulfides - 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. Sulfides/Disulfides - 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. 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. Sulfenyl Halides
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Karl Fischer Titration Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Karl Fischer Titration Reagents
  4. Reagents for Aldehydes & Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Volumetric Solutions
  4. Karl Fischer Reagents (HYDRANAL)
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Volumetric Solutions
  4. Karl Fischer Reagents (HYDRANAL)
  5. Reagents for Aldehydes & Ketones

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