β-Caryophyllene β-石竹烯

CAS 87-44-5 MFCD00075925

化学结构图

87-44-5
SMILES: C=C1CCC=C(C)CCC2C1CC2(C)C

化学属性

Mol. FormulaC15H24
Mol. Weight204
Density0.902
Boiling Point262-264
Refractive index1.4970 to 1.5000
Flash Point97°C(lit.)
Appearance 无色至微黄色油状液体，具有淡的丁香似香味。沸点256℃。溶于乙醚和乙醇，不溶于水。 天然品存在于丁香油、丁香茎油、锡兰桂皮油、肉桂叶油、薰衣草油、百里香油、胡椒油、甘椒油等精油中。

别名和识别编码

Chemical Nameβ-Caryophyllene
Synonym {uni_hamburg} {Chemicalbook} BETA-CARYOPHYLLENE Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E, CARYOPHYLLENE (-)-TRANS-CARYOPHYLLENE (-)-β-caryophyllene 4,11,11-Trimethyl-8-methylenbicyclo[7.2.0]undec-4(trans)-en (-)-反式石竹烯 l-caryophyllene caryophillene TRANS-(1R,9S)-8-METHYLENE-4,11,11-TRIMETHYLBICYCLO[7.2.0]UNDEC-4-ENE β-石竹烯 (-)-反式石竹烯 反式-(1R,9S)-8-亚甲基-4,11,11-三甲基双环[7.2.0]十一碳-4-烯 {Chemi B-CARYOPHYLLENE BETA-CARYOPH 8-Methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene { [1R-(1R*,4E,9S*)]-8-methylene-4,11,11-trimethylbicyclo[7.2.0]-4-undecane 4,11,11-trimethyl-8-methylene-,(1r-(1r*,4e,9s*))-bicyclo(7.2.0)undec-4-en β-石竹烯 β-Caryophyllene, (-) (-) TRANS CARYOPHYLLEN (1R,9S)-8-METHYLEN-4,11,11 反式石竹烯 (-)-E-caryophyllene Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)- (8E)-8,12-seco-caryola-1(12),8-diene 8-METHYLENE-4,11,11-TRIMETHYLBICYCLO[7.2.0]UNDEC-4-ENE 天然Β石竹烯 4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)- [1R-(1R*,4E,9S*)]-4,11,11-三甲基-8-亚甲基二环[7.2.0]十一-4-烯 [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-bic [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene (E)-beta-Caryophylene (-)-caryophyllene (-)-t (E)-Caryophyllene 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4E,9S*)]-Bicyclo[7.2.0]undec-4-ene TRANS-CARYOPHYLLENE trans-c
MDL NumberMFCD00075925
PubChem Substance ID5281515
Beilstein Registry Number2044564
CAS Number87-44-5
EC Number201-746-1
Reaxys-RN2044564
Merck Number1875
Chemical Name Translationβ-石竹烯
Wiswesser Line NotationL49 EY HUTJ B1 B1 EU1 I1
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
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分类

  • {SNA} A - D, A-F, All Alphabetically Sorted, Alphabetical, Analytical Standards, Analytical/Chromatography, Basil, Chemical Class, Chromatography, Cinnamomum, Cinnamon, Citrus, Clove, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Herbs & Spices, Hop, Isoprenoids, Life Sciences Standards,
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料

相关文献及参考

  • [2]. Dahham SS, et al. The Anticancer, Antioxidant and Antimicrobial Properties of the Sesquiterpene β-Caryophyllenefrom the Essential Oil of Aquilaria crassna. Molecules. 2015 Jun 26;20(7):11808-29.
  • [3]. de Oliveira CC, et al. Anticonvulsant activity of β-caryophyllene against pentylenetetrazol-induced seizures. Epilepsy Behav. 2016 Mar;56:26-31.
  • Beil. 5 ,IV,1182
  • Merck 14 ,1875
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic,

安全信息

WGK Germany1
RTECSDT8400000
Personal Protective Equipment Eyeshields, Gloves
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intratracheal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >48 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - pulmonary emboli
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   59,78,1986

其他信息

  • 参考质量标准:FCC，1997 旋光度(用100mm管子) -5°～-10° 折射率(n D 20 ) 1.498～1.504 相对密度(d 25 25 ) 0.897～0.910 醇中溶解度(OT-43) lml溶于6ml。95%乙醇，澄明 含酚量(OT-37) ≤3.0%β-石竹烯含量 ≥80.0%
  • 方法一:由丁香叶油、丁香茎油、肉桂叶油等中分离而得。
  • 毒性:GRAS(FEMA)。
  • 急性毒性:腹腔-大鼠 LD: >; 48 毫克/公斤
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用于配制精油仿制品和定香剂。
  • 储运特性:库房低温通风干燥; 防火, 高温, 与氧化剂分开存放
  • TCI Shanghai:β-石竹烯 beta-Caryophyllene,>;90.0%(GC)(87-44-5)
  • FEMA:2252
  • 毒性分级:中毒
  • 上游原料:丁香茎油 --> 肉桂 --> 丁香(EUGENIA CARYOPHYLLUS)叶油
  • 类别:易燃液体
  • 反式石竹烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0796 β-石竹烯 beta-Caryophyllene 500ML 1290元 2014/06/02 C0796 β-石竹烯 beta-Caryophyllene 25ML 241元
  • 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-石竹烯 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
  • 可燃性危险特性:遇高温, 明火, 强氧化剂易燃; 热分解辛辣刺激烟雾
  • 刺激数据:皮肤-兔 500 毫克/24小时 轻度
  • MOL 文件:87-44-5.mol
  • Sigma Aldrich:87-44-5(sigmaaldrich)
  • 含量分析:按GT-10-4中用极性柱方法测定。
  • 使用限量:FEMA(mg/kg)：软饮料14；冷饮2.0；糖果34；焙烤食品27；胶姆糖200；调味品50。 适度为限(FDA 172．515，2000)。
  • 灭火剂:雾水,二氧化碳, 泡沫, 干粉

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  1. Life Science 生命科学
  2. Metabolomics 代谢组学
  3. Metabolic Pathways - Metabolomics
  4. Terpenoid Metabolism - Metabolic Pathways
  5. Terpenoids - Terpenoid Metabolism
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Alkenes - Organic Building Blocks
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Cannabinoid Receptor  (大麻素受体)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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