3-Methylindole 3-甲基吲哚

CAS 83-34-1 MFCD00005627

化学结构图

83-34-1
SMILES: Cc1c[nH]c2ccccc12

化学属性

Mol. FormulaC9H9N
Mol. Weight131.17
Density1.11
Boiling Point265-266°C at 760 mmHg
Melting Point92-97°C
Flash Point132°C
TSCAYes
Stability对光敏感;对空气敏感
Appearance 白色结晶。沸点265-266℃,熔点93-96℃,溶于3体积95%乙醇及油质香料。有带咸臭而强的吲哚样动物香,气势非常有力,扩散力强,很持久。浓度高时的气息令人作呕,仅在极低浓度下才有大灵猫香样动物香,味觉是温暖过熟熟果样口味。

别名和识别编码

Chemical Name3-Methylindole
CAS Number83-34-1
Alfabeta NameMETHYLINDOLE H31---
MDL NumberMFCD00005627
Synonym Skatole {LY} Skatole {} {LY} Skatole {} {} {LY} Skatole {} {} {} {LY} Skatole {} {} {} {} {LY} Skatole {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Skatole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number201-471-7
Beilstein Registry Number111296
PubChem Substance ID6736
Merck Number8560
Reaxys-RN111296
Chemical Name Translation3-甲基吲哚
Wiswesser Line NotationT56 BMJ D1
LabNetwork Molecule IDLN00176604
InChIInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
Canonical SMILESCC1=CNC2=CC=CC=C12
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分类

  • {SA} Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, O-Z, Q-Z
  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Q-Z
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • Indole Derivatives
  • Aromatics

产品应用

  • 生化研究。

相关文献及参考

  • ########
  • Merck: 14,8560
  • Merck: 14,8560 Beilstein:20,315
  • Short: II/3
  • Short: III/35D3
  • [1]. Kurata K, et al. Skatole regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38. Biochem Biophys Res Commun. 2019 Mar 19;510(4):649-655.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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;
  • S37 Wear suitable gloves 戴适当手套;
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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P311
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • 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
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSNM0350000
Storage condition 2-8°C {LY} 2-8°C Light Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes Xi,N Xi
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - domestic
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,863,1976

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cattle
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - emphysema
   Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,863,1976

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,1354

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,1354,1989

TYPE OF TEST

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SP

其他信息

  • Sigma Aldrich:83-34-1(sigmaaldrich)
  • 用途二:有很好的定香价值,常作定香剂使用,但只能痕量用于花香型香精中来比拟大灵猫香,也常用来配制大灵猫香。还常与苯乙酸、灵猫酮或巨环酮类共用来取得好的天然动物香效果。极限痕量用于葡萄、干酪果香、坚果香等食用香精中。
  • 检测方法:HPLC,NMR
  • 用途三:3-甲基吲哚具有令人不愉快的粪臭味,但经大量稀释后有愉快的香味,特别具有灵猫香基的香韵,在干酪、坚果、葡萄等制品中加入少量就有效果,在海味香精中加入,可具鱼肉味。
  • 上游原料:吲唑-3-羧酸 --> 牛奶 --> 苯腙 --> 灵猫香分泌液
  • Alfa Aesar:3-甲基吲哚,99% 3-Methylindole, 99%(83-34-1)
  • 图谱信息:3-甲基吲哚(83-34-1)核磁图( 13 CNMR) 3-甲基吲哚(83-34-1)红外图谱(IR2) 3-甲基吲哚(83-34-1)红外图谱(IR1) 3-甲基吲哚(83-34-1)质谱(MS) 3-甲基吲哚(83-34-1)核磁图( 1 HNMR) 3-甲基吲哚(83-34-1)红外图谱(IR3)
  • 有粪臭。对光敏感。久置逐渐变棕色。遇亚氰化钾和硫酸能产生紫色。溶于热水,乙醇、苯、氯仿和乙醚。最小致死量(青蛙,皮下)1.0g/kg。有刺激性。
  • Acros Organics:3-甲基吲哚/粪臭素 3-Methylindole, 98%(83-34-1)
  • MSDS 信息:3-Methyl-1H-indole(83-34-1).msds
  • F:8-13
  • 海关编码:29339920
  • 方法一:3-甲基吲哚存在于灵猫香、人类、干酪、牛奶和茶中。工业生产可由丙醛与苯肼加热脱去水分子而获得丙醛苯腙,然后同氯化锌或硫酸加热,脱去氨分子而得到3-甲基吲哚。
  • TCI Shanghai:3-甲基吲哚 3-Methylindole,>;98.0%(GC)(83-34-1)
  • 3-甲基吲哚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 AM5145802 3-甲基吲哚 98% 25g 1155元 2011/04/16 M0347 3-甲基吲哚 3-Methylindole 1G 229元 2011/04/16 M0347 3-甲基吲哚 3-Methylindole 25G 956元
  • 用途一:用作有机合成试剂
  • MOL 文件:83-34-1.mol
  • FEMA:3019
  • 存储注意事项:光敏感
  • 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) β-甲基吲哚 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
  • 敏感性:Light Sensitive

系列性分类


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