1,4-Dithiane 1,4-二噻烷

CAS 505-29-3 MFCD00006658

化学结构图

505-29-3
SMILES: C1CSCCS1

化学属性

Mol. FormulaC4H8S2
Mol. Weight120.24
Boiling Point200 °C(lit.)
Melting Point107-113 °C(lit.)
Appearance 白色至近白色结晶。沸点199～200℃。微溶于热水，溶于热乙醇和油。

别名和识别编码

Chemical Name1,4-Dithiane
MDL NumberMFCD00006658
PubChem Substance ID10452
CAS Number505-29-3
EC Number208-007-2
Synonym 1,4-Dithiane {LY} 1,4-Dithiane {} {LY} 1,4-Dithiane {} {} {LY} 1,4-Dithiane {} {} {} {LY} 1,4-Dithiane {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Dithiane {} {} {} {} {} {} {} {} {
Chemical Name Translation1,4-二噻烷
LabNetwork Molecule IDLN01360197
InChIInChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
Canonical SMILESC1CSCCS1
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分类

  • {SNA} Alphabetical Listings, C-D, Flavors and Fragrances
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 6RingOnly; 6ring; sulfide; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香

相关文献及参考

  • Beil. 19 ,3
  • Aldrich MSDS 1 , 838:B / Corp MSDS 1 (1), 1479:C / FT-IR 1 (1), 271:D / FT-IR 2 (1), 436:B / FT-NMR 1 (1), 435:C / IR-Spectra (3), 160:B / IR-Spectra (2), 143:D / NMR-Reference 2 (1), 233:D / RegBook 1 (1), 289:F / Structure Index 1 , 40:D:3 / Vapor Phase 3 , 357:A
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: IV/20A Title: Vapor Pressure and Antoine Coefficients for Hydrocarbons and Sulfur-, Selenium-, Tellurium-, and Halogen-Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20A Year: 1999 Keyword: organic compounds; vapor pressure ISBN: 3-540-64735-X ISBN: 978-3-540-64735-5 Internet Resource: DOI:10.1007/b71086 RefComment: VIII, 373 pages.
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • 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。
  • 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
  • P304+P340
  • P305+P351+P338
  • 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）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • 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
Hazard Codes Xi
RTECSJO5069000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2768 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A172-647

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 4 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 321,213,1994

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

  • MOL 文件:505-29-3.mol
  • FEMA:3831
  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥97%
  • Sigma Aldrich:505-29-3(sigmaaldrich)
  • 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） 1，4-二噻烷 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
  • 使用限量:FEMA(mg/kg)：焙烤制品0.2～8.0；果酱、果冻，0.02～2.0；汤品0.02～1.0；调味香料20。
  • 毒性:GRAS(FEMA)。
  • 用途一:食品用香料。

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. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  5. S-Containing - Others

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