o-Toluenethiol 2-甲基苯硫酚

CAS 137-06-4 MFCD00004838

化学结构图

137-06-4
SMILES: Cc1ccccc1S

化学属性

Mol. FormulaC7H8S
Mol. Weight124.20
Density1.054 g/mL at 25 °C(lit.)
Refractive index1.5790 to 1.5820
Boiling Point194°C
Melting Point10-12 °C(lit.)
Flash Point64°C(lit.)
Solubility不溶
TSCAYes
Stability对空气敏感

别名和识别编码

Chemical Nameo-Toluenethiol
Synonym O-Toluenethiol {LY} O-Toluenethiol {} {LY} O-Toluenethiol {} {} {LY} O-Toluenethiol {} {} {} {LY} O-Toluenethiol {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Toluenethiol {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00004838
CAS Number137-06-4
EC Number205-276-8
Beilstein Registry Number6(4)2014
PubChem Substance ID87576263
Merck Number9325
Reaxys-RN774068
Chemical Name Translation2-甲基苯硫酚
Wiswesser Line NotationSHR B1
LabNetwork Molecule IDLN00195883
Canonical SMILESSC1=CC=CC=C1C
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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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thiol; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-Z, Q-Z, R-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O-Z, Q-Z, R-Z
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Merca

产品应用

  • 用于合成。

相关文献及参考

  • Merck: 14,9325
  • Merck: 14,9325 Beilstein:6(4)2014
  • Short: II/27B
  • Short: III/38B

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P370+P378
  • P302+P352+P312+P362+P364
  • 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。
  • P403+P235
  • P304+P340+P312
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
RTECSXT8750000
Hazard Codes Xn Xi Xi,Xn
Packing GroupIII
UN Number UN2810 2810
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

Restrict 危险品

其他信息

  • 急性毒性:腹腔- 小鼠 LD50: 100 毫克/ 公斤
  • 参考质量标准:FAO/WHO，1999(暂定) 含量(GT-10-4) ≥95% 折射率(n D 20 ) 1.575 相对密度(d 25 25 ) 1.054～1.059
  • 用途二:用于合成。
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • 2-巯基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0288 邻甲基苯硫酚 o-Toluenethiol 500ML 4250元 2014/06/02 T0288 邻甲基苯硫酚 o-Toluenethiol 25ML 380元 2010/05/25 B22460 邻硫代甲酚, 98% o-Thiocresol, 98% 25g 1217元
  • Alfa Aesar:邻硫代甲酚,98% o-Thiocresol, 98%(137-06-4)
  • 敏感性:Stench
  • TCI Shanghai:邻甲基苯硫酚 o-Toluenethiol,>;95.0%(GC)(137-06-4)
  • 上游原料:邻甲基苯胺
  • FEMA:3240
  • 海关编码:29309070
  • MSDS 信息:邻甲苯硫酚(137-06-4).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） 邻-甲基苯硫酚 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)。
  • 外观性质:无色液体或片状结晶。
  • 2-巯基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 T0288 邻甲基苯硫酚 o-Toluenethiol 500ML 6280元 2011/04/16 T0288 邻甲基苯硫酚 o-Toluenethiol 25ML 857元 2010/05/25 B22460 邻硫代甲酚, 98% o-Thiocresol, 98% 25g 1217元
  • 存储注意事项:惰性气体保护;空气敏感
  • Hazard Note:Harmful/Irritant/Stench
  • 类别:腐蚀物品
  • 用途一:用作有机合成原料
  • MOL 文件:137-06-4.mol
  • 灭火剂:砂土、泡沫、二氧化碳、雾状水
  • 方法一:由邻甲苯胺经重氮化、酯化、水解而得。
  • 图谱信息:2-巯基甲苯(137-06-4)质谱(MS) 2-巯基甲苯(137-06-4)红外图谱(IR2) 2-巯基甲苯(137-06-4)红外图谱(IR1)
  • 毒性分级:高毒
  • 使用限量:FEMA：焙烤制品、沙司、汤品，均0.20mg/kg。
  • 可燃性危险特性:可燃; 燃烧时放出有毒硫氧化物气体
  • Sigma Aldrich:137-06-4(sigmaaldrich)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. Q-Z - 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
  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

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