1,3-Dimercaptopropane 1,3-丙二硫醇

CAS 109-80-8 MFCD00004904

化学结构图

109-80-8
SMILES: SCCCS

化学属性

Mol. FormulaC3H8S2
Mol. Weight108.22
Refractive index1.5380 to 1.5420
Boiling Point170°C
Density1.078
Melting Point-79
Flash Point61°C(lit.)
Solubility微溶于水,和乙醇、乙醚和氯仿混溶。
TSCAYes
Vapor Density>;1 (vs air)
Vapor Pressure5 mmHg ( 37.7 °C)
Appearance 1,3-丙二硫醇(109-80-8)为浅黄色液体,密度 1.07 ,熔点 -79 ℃ ,沸点 169 ℃ ,折射率 1.538-1.542 ,闪点 58 ℃ ,水溶性 <;0.1 g/100 mL at 21 ℃

别名和识别编码

Chemical Name1,3-Dimercaptopropane
Synonym Trimethylene dimercaptan; 1,3-Propanedithiol; Propane-1,3-dithiol 1,3-propanethiol 1,3-dimercaptopropane TRIMETHYLENE DIMERCAPTAN DITHIOTRIMETHYLENEGLYCOL TRIMETHYLENEDITHIOGLYCOL 1,3-Propane dithiol 1,3-Propandeithiol 1,3-Propanedithiol98% NDR-132 1,3-Trimethylenedithiol 1,3-propanedithiol Trimethylenedithioglycol propane dithiol 1,3-DIMERCAPTOPROPANE Propan-1,3-dithiol Trimethylene dimercaptan 1,3-PROPANEDITHIOL FEMA NO.3588 Trimethylene mercaptan trimethylene dimercaptan 3-Mercaptopropanethiol PDT 1 3-PROPANEDITHIOL 96+% trimethylenedithiol 1,3-丙烷二硫石蠟油 1,3-PROPA
CAS Number109-80-8
PubChem Substance ID8013
EC Number203-706-9
Beilstein Registry Number1,476
MDL NumberMFCD00004904
Reaxys-RN1071197
Merck Number7801
Chemical Name Translation1,3-丙二硫醇
LabNetwork Molecule IDLN00222498
InChIInChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
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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} A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O-P
  • Building Blocks, Chemical Synthesis, Dithiols, Materials Science, Micro/Nano
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P
  • {SNA} Building Blocks, Chemical Synthesis, Dithiols, Micro/NanoElectronics, Organic Building Blocks,

相关文献及参考

  • Alternatively, 1,3-dithianes can be prepared by alkylation with reactive gem-dihalides under phase-transfer conditions: Liebigs Ann. Chem., 1589 (1982).
  • For deprotection methods and uses of 1,3-dithianes as acyl anion equivalents, see: 1,3-Dithiane, A10505.
  • Merck:14,7801
  • Merck:14,7801 Beilstein:1,476
  • Precursor of cyclic dithioacetal (1,3-dithiane) derivatives of carbonyl compounds. The protection step is catalyzed by Lewis acids, e.g. BF3 etherate: Tetrahedron Lett., 871 (1971), TiCl4: Tetrahedron Lett., 24, 1289 (1983), Aluminum trifluoromethanesulfonate, B20785, or Indium(III)­ trifluoromethanesulfonate, 40131. Diothioacetalization can be accomplished under neutral, solvent-free conditions using Lithium trifluoromethanesulfonate, 39322, as catalyst: Tetrahedron Lett., 40, 4055 (1999). For the preparation of monocyclic dithioacetals of ß-diketones at low temperature in the presence of BF3 etherate, see: Tetrahedron, 44, 2283 (1988).
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
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
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 9
RTECSTZ2585500
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • 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。
  • P332+P313
  • P370+P378
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P403+P235
Signal word Warning
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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
UN Number UN3334 3334
Packing GroupIII
Hazard Class6.1
Storage condition 2-8°C
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1070 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 87(Suppl),6,1946

其他信息

  • 微溶于水,和乙醇、乙醚和氯仿混溶。
  • 蒸气密度:>;1 (vs air)
  • 蒸气压:5 mm Hg ( 37.7 °C)
  • Alfa Aesar:1,3-丙二硫醇,97% 1,3-Propanedithiol, 97%(109-80-8)
  • 检测方法:GC,NMR
  • 下游产品:西司他丁 --> 2-甲基-1,3-二噻烷
  • 图谱信息:1,3-丙二硫醇(109-80-8)红外图谱(IR1)
  • 海关编码:29309070
  • 用途一:用作日用香精
  • 使用限量:FEMA:焙烤制品、肉制品、汤品、小吃食品、调味汁、糖果、糖霜,均0.2mg/kg。
  • 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) 1,3-丙二硫醇 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
  • F:13
  • MSDS 信息:1,3-Dimercaptopropane(109-80-8).msds
  • TCI Shanghai:1,3-丙二硫醇 1,3-Propanedithiol,>;95.0%(T)(109-80-8)
  • 1,3-Propanedithiol is used for the protection of aldehydes and ketones via their reversible formation of dithianes. It is a dithiol used in self-assembled monolayers (SAMs).
  • 参考质量标准:FAO/WHO,1999 含量(GT-10-4) ≥98% 折射率(n D 20 ) 1.537~1.539 相对密度(d 4 20 ) 1.077~1.078
  • Acros Organics:1,3-丙二硫醇 1,3-Propanedithiol, 98%(109-80-8)
  • FEMA:3588
  • 1,3-丙二硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0763 1,3-丙二硫醇 1,3-Propanedithiol 25ML 448元 2010/06/21 131412500 1,3-丙二硫醇 1,3-Propanedithiol 98% 250 ML 3397元 2010/06/21 131410500 1,3-丙二硫醇 1,3-Propanedithiol 98% 50 ML 995元
  • Sigma Aldrich:109-80-8(sigmaaldrich)
  • 1,3-丙二硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P0763 1,3-丙二硫醇 1,3-Propanedithiol 25ML 603元 2010/06/21 131412500 1,3-丙二硫醇 1,3-Propanedithiol 98% 250 ML 3397元 2010/06/21 131410500 1,3-丙二硫醇 1,3-Propanedithiol 98% 50 ML 995元
  • MOL 文件:109-80-8.mol
  • 毒性:GRAS(FEMA)。

系列性分类