Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1) N,N-二乙基-N-[(2,6-二甲苯基氨基甲酰基)甲基]苄基苯甲酸铵

CAS 3734-33-6 MFCD00031578

化学结构图

3734-33-6
SMILES: CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1

化学属性

Mol. FormulaC28H34N2O3
Mol. Weight446.58
Melting Point164-168°C
TSCAYes
Solubilitymethanol: 50 mg/mL, clear, colorless
Stability对湿度敏感

别名和识别编码

Chemical NameBenzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)
MDL NumberMFCD00031578
CAS Number3734-33-6
Synonym BENZYLDIETHYL [(2,6-XYLYLCARBAMOYL)-AMMONIUM] BENZOATE BENZYLDIETHYL[(2,6-DIMETHYLPHENYLCARBAMOYL)METHYL]AMMONIUM BENZOATE Benzenemethanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,benzoate Benzyldiethyl[(2,6-dimethylphenylcarbamoyl)methyl]ammonium Benzoate Bitrex® M Denatonium (benzoate) {SNA} N,N-二乙基-N-[(2,6-二甲苯基氨基甲酰基)甲基]­苄基­苯甲酸铵 THS 839 苄基二乙基[(2,6-二甲苯基氨基甲酰基)甲基]铵苯甲酸盐 N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-benzenemethanaminium benzoate; N,N-Diethyl-N-[(2,6-dimethylphenylcarbamoyl)methyl]benzylammonium benzoate; Benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoate THS 839 benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoa denatoniumbenzoate,anhydrous n-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-n,n-diethyl-benzenemethanaminiu 苄基二乙基[(2,6-二甲苯基氨基甲酰基)甲基]铵苯甲酸盐
PubChem Substance ID19518
Beilstein Registry Number8179408
EC Number223-095-2
Merck Number2891
Reaxys-RN8179408
Chemical Name TranslationN,N-二乙基-N-[(2,6-二甲苯基氨基甲酰基)甲基]苄基苯甲酸铵
Wiswesser Line Notation1R C1 BMV1K2&2&1R &OVR
LabNetwork Molecule IDLN00186600
InChIInChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
Canonical SMILESCC[N+](CC)(CC(NC1=C(C)C=CC=C1C)=O)CC2=CC=CC=C2.O=C([O-])C3=CC=CC=C3
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Protected Amines

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。
  • 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。
  • 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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
RTECSBO6650000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Hazard Codes Xn
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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 2-8°C 充氩保存 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 584 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - ataxia
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB81-139339

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 508 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - ataxia
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB81-139339

其他信息

  • MSDS 信息:Benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoate(3734-33-6).msds
  • 世界上最苦的化合物:苯甲地那铵是目前已知世界上最苦的化合物，如果设定奎宁的苦度为基准1，本品的苦度则为1000，浓度为10ppm的溶液，对于绝大多数人来说已经是苦得无法忍受 ，它的绝大部分应用都和其苦味有关，是番木鳖碱、苦木素、奎宁、木曲甙、柚甙的价廉高效替代物。 苯甲地那铵通常被用作厌恶剂，以避免人们误食其它有毒却无味的物质。例如添加到工业酒精、与普通酒类口感相似的乙二醇或甲醇、防冻剂、油漆、洁厕剂、动 物驱散剂、液体肥皂以及香波当中，除此之外还会添加到特殊的指甲抛光剂中，用于避免儿童咬指甲的不良习惯，以及驱逐大型野兽的驱逐剂。长期暴露在该物质 下，会对人体健康造成何种影响是未确定的。
  • 用途一:用作调味剂
  • 图谱信息:苯甲地那铵(3734-33-6)核磁图( 1 HNMR) 苯甲地那铵(3734-33-6)核磁图( 13 CNMR) 苯甲地那铵(3734-33-6)红外图谱(IR1) 苯甲地那铵(3734-33-6)红外图谱(IR2) 苯甲地那铵(3734-33-6)质谱(MS)
  • Sigma Aldrich:3734-33-6(sigmaaldrich)
  • TCI Shanghai:苯甲地那铵 Denatonium Benzoate,>;98.0%(LC)(T)(3734-33-6)
  • 化学结构:苯甲地那铵是一种由季铵盐阳离子与惰性阴离子如苯甲酸根离子或者糖精阴离子结合形成的季铵盐。该物质阳离子的结构和局部麻醉剂利多卡因类似，其差异仅仅 是在氨基的氮原子上多了一个苄基官能团。
  • 苯甲地那铵价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2124 苯甲地那铵 Denatonium Benzoate 5G 984元
  • MOL 文件:3734-33-6.mol
  • 海关编码:29242995

系列性分类

  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Cationic Detergents - Detergents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Protected Amines - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Protected Amines - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Quaternary Ammonium Compounds 季铵化合物
  1. Functional Group 官能团索引
  2. quaternary ammonium salt
  1. Functional Group 官能团索引
  2. carboxylic acid salt

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