(E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide (E)-N-(4-羟基-3-甲氧基苄基)-8-甲基-6-壬烯酰胺

CAS 404-86-4 MFCD00017259

化学结构图

404-86-4
SMILES: COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O

化学属性

Mol. Formula(CH3)2CHCH=CH(CH2)4CONHCH2C6H3-4-(OH)-3-(OCH3)
Mol. Weight305.41
Melting Point62-65 °C(lit.)
Solubility不溶
Flash Point113 °C
Density1.041

别名和识别编码

Chemical Name(E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide
Synonym 8-甲基-N-香草基-L-壬烯胺 8-methyl-n-vanillyl-nonanamid 8-METHYL-N-VANILLYL-6-NONENEAMIDE N-(4-羟基-3-甲氧基苄基)-8-甲基壬酰胺 天然辣椒素,(E)-N-(4-羟基-3-甲氧基苄基)-8-甲基-6-壬烯酰胺 6,7-dihydrocapsaicin 吉西他滨 8-METHYL-N-VANILLYL-6-NONENAMIDE n-(4-hydroxy-3-methoxybenzyl-8-methylnon-trans-6-enamide Capsaicin TRANS-8-METHYL-N-VANILLYL-6-NONENAMIDE (E)-N-(4-羟基-3-甲氧基苄基)-8-甲基-6-壬烯酰胺 (E)-8-METHYL-NON-6-ENOIC ACID 4-HYDROXY-3-METHOXY-BENZYLAMIDE 8-甲基-N-[(4-羟基-3-甲氧基苯基)-甲基]-(反)-6-壬烯基酰胺 {Chemi 天然辣椒素,(E)-N-(4-羟基-3-甲氧基苄基)-8-甲基-6- Capsaicine (E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-no (E)-8-Methyl-N-vanillyl-6-nonenamide 二氢辣椒素 8-METHYL-N-VANILLYL-TRANS 8-methyl-N-vanillylnonanamide approx.*90% from ca 辣椒素 FROM CAPSICUM CAPSAICINE CAPSAICIN, NATURAL (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE 8-甲基-N-香草基-反-6-壬烯酰胺 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- 天然辣椒碱 8-METHYL-N-VANILLYLNONANAMIDE APPROX.*90 % FROM CAPS FEMA 2787 trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide FEMA 3404 辣椒碱 (e)-8-methyl-n-vanillyl-6-nonenamide 辣椒鹼 capsaicin(fromoleoresinofcapsicum)plusrelatedcapsaicinoids
CAS Number404-86-4
PubChem Substance ID1548943
EC Number206-969-8
Beilstein Registry Number2816484
MDL NumberMFCD00017259
Reaxys-RN2816484
Merck Number1768
Chemical Name Translation(E)-N-(4-羟基-3-甲氧基苄基)-8-甲基-6-壬烯酰胺
Wiswesser Line Notation1OR BQ E1MV5U1Y1&1
LabNetwork Molecule IDLN00196858
InChIInChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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分类

  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alkaloid, Amides, Bioactive Small Molecules, Building Blocks, C-CH, C8 to C20+, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Nutrition Research, Organic Building Blocks, Phytochemicals by Chemical Classification, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger)
  • {SNA} Analytical Standards, Pharmacopeia Metrological Institutes Standards, USP Standards, USP Standards C - D, 分析/色谱
  • {SNA} Analytical Standards,
  • {SNA} Alkaloid,
  • {SNA} A - D,
  • {SNA} Alkaloid

产品应用

  • 辣椒的活性成分，辣椒素受体激动剂，神经毒素;激活感觉神经元。

相关文献及参考

  • Merck: 14,1768
  • Merck: 14,1768 Beilstein:13(4)2588

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H300 Fatal if swallowed 吞食致命
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H301 Toxic if swallowed 吞食有毒
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
RTECSRA8530000
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。
  • P301+P310+P330
  • 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.....
  • P332+P313
  • P405 Store locked up. 上锁保管。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P305+P351+P338+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P342+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Signal word {} {TCI} Danger
UN Number 2811 UN 2811 6.1/PG 2 3462
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；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R25 Toxic if swallowed 吞咽有毒
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R42/43
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupII
Hazard Class6.1
Storage condition 储存温度 2-8°C 2-8°C 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3318 mg/kg/5W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   ANTRD4 Anticancer Research.  (5 Argyropoulou St., Kato Patissia, Athens 907,
   Greece)  V.1-    1981-  Volume(issue)/page/year: 4,117,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kil

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9500 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Behavioral - muscle contraction or spasticity
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 18,215,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >512 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 18,215,1980

{hazard_c

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 18,215,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 47200 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAHOA3 Yakhak Hoe Chi.  Journal of the Pharmaceutical Society.  (Taehan
   Yakkakhoe, c/o College of Pharmacy, Seoul National Univ., Seoul 151, S.
   Korea)  V.1-    1956(?)-  Volume(issue)/page/year: 25(3),101,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,881,1985

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 7500 ug/kg
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,881,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 5 mg/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   48,109,1989

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 93120 ug/kg/32D (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 345,105,1995

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1800 ug/kg
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,881,1985

其他信息

  • 用途一:辣椒素具有很强的镇痛和消炎作用,害虫驱避剂,阻止海洋生物附着的活性成分制造的无毒生物防污漆.
  • 灭火剂:水, 二氧化碳, 泡沫, 干粉
  • MSDS 信息:(E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide(404-86-4).msds
  • Sigma Aldrich:19408-84-5(sigmaaldrich)
  • MOL 文件:404-86-4.mol
  • 毒性分级:剧毒
  • 检测方法:HPLC,NMR,MS
  • 注意事项:不可与碱性农药混用。对鱼类、蜜蜂、蚕桑毒性大，禁止使用。
  • 上游原料:氢氧化钠 --> 盐酸 --> 四氢呋喃 --> 氧氯化硫 --> 氢化铝锂 --> 氢化钠 --> 盐酸羟胺 --> 香兰素 --> 三甲氧基磷 --> 6-溴己酸甲酯
  • 储运特性:库房低温通风干燥; 与食品原料分开存放
  • 用途一:治疗软组织损伤的药物.
  • 类别:有毒物质
  • MOL 文件:19408-84-5.mol
  • F:10-21
  • TCI Shanghai:辣椒碱（天然提取) Capsaicin (Natural),>;60.0%(LC)(404-86-4)
  • 存储注意事项:氮气保护
  • Sigma Aldrich:404-86-4(sigmaaldrich)
  • 可燃性危险特性:辣味呛人; 热分解排出有毒氮氧化物烟雾
  • 刺激数据:皮肤-人 1%/30分 轻度; 眼睛-豚鼠 1 毫克 轻度
  • 天然辣椒素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K2174801 辣椒素（+4℃） 100mg 790.8元 2011/04/16 M1149 辣椒碱（天然提取) Capsaicin (Natural) 1G 800元
  • 急性毒性:腹腔-大鼠 LD50: 9.5 毫克/公斤; 口服-小鼠 LD50: 47.2 毫克/公斤
  • FEMA:3404

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. C-CH - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Alkaloid - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Zingiber officinale (Ginger) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CA - CG - C
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Substance Classification - Phytopharma Standards
  7. Nitrogen containing compounds - Substance Classification
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Fatty Acyls - Lipids
  5. Fatty Acids and conjugates - Fatty Acyls
  6. Saturated Fatty Acids and Derivatives - Fatty Acids and conjugates
  7. Others - Saturated Fatty Acids and Derivatives
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Doping Substances - Forensic and Veterinary Standards
  6. Analgesic - Doping Substances

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