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石竹烯 | 87-44-5

石竹烯
β-Caryophyllene
87-44-5
C15H24
204.3511
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:石竹烯结构式
石竹烯MSDS
87565865
石竹烯价格
简介
石竹烯是一类双环倍半萜类化合物。天然存在于柠檬、园柚、肉豆蔻、胡椒、覆盆子、黑加仑、肉桂叶油、丁香叶油中。
名称和标识符
MDL MFCD00075925
InChIKey NPNUFJAVOOONJE-GFUGXAQUSA-N
Inchi 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
SMILES C1(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]2([H])C(=C([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H] |c:25|
别名信息
- 中文别名 -
  • 石竹烯
  • β-石竹烯
  • 反式石竹烯
  • β-丁香烯
  • (-)-反式-石竹烯
  • (-)-反式-石竹烯(AS)
  • [1R-(1R*,4E,9S*)]-4,11,11-三甲基-8-亚甲基二环[7.2.0]十一-4-烯
  • beta-Caryophyllene β-石竹烯
  • β-Caryophyllene β-石竹烯 β-丁香油精 25ml 反式石竹烯
  • β-石竹烯, 来源于樟树
  • (-)-反式石竹烯
  • Beta-丁香烯
  • Beta-石竹烯
  • L-石竹烯
  • β-丁香油精
  • 反式丁香烯
  • 反式-(1R,9S)-8-亚甲基-4,11,11-三甲基二环[7.2.0]十一烷-4-烯
  • Caryophyllene
  • β石竹烯
- 英文别名 -
  • Caryophyllene
  • 1-caryophyllene
  • 2-Methylene-6,10,10-trimethyl bicyclo[7.2.0]undec-5-ene
  • 8-methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene
  • beta-caryophyllene
  • (-)-beta-caryophyllene
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
  • bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-
  • bicyclo[7.2.0]undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
  • (-)-caryophyllene
  • trans-caryophyllene
  • (-)-trans-caryophyllene
  • β-Caryophyllene
  • (−)-trans-Caryophyllene
  • (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
  • B-Caryophyllene Fcc
  • CARYOPHYLLENE, (-)-trans-(AS)
  • (-)-(E)-Caryophyllene
  • (−)-β-caryophyllene
  • trans-beta-Caryophyllene
  • beta-Caryophyllen
  • (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • β-石竹烯
  • Dianthus
  • β-caryophyllen
  • (E)-Caryophyllene
  • L-Caryophyllene
  • b-caryophyllene
  • .beta.-Caryophyllen
  • .beta.-Caryophyllene
  • (E)-beta-caryophylene
  • (E)-beta-caryophyllene
  • .beta.-(E)-Caryophyllene
  • NPNUFJAVOOONJE-GFUGXAQUSA-N
  • C
  • trans-Caryophyllene
  • beta-Caryophyllene
  • (-)-trans-Caryophyllene
  • (-)-beta-Caryophyllene
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
  • 87-44-5
  • A-caryophyllene
  • SY060846
  • DTXSID70859143
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
  • (?)-
  • FT-0603049
  • (-)-(E)-Caryophyllene
  • (-)-beta-caryophyllene
  • (-)-trans-Caryophyllene
  • AKOS030228124
  • FT-0627388
  • 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
  • NS00085736
  • (Z)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
  • .beta.-cis-Caryophyllene
  • 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
  • NSC11906
  • 54061-81-3
  • (5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-ene
  • .gamma.-Caryophyllene
  • 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
  • Cis-.beta.-caryophyllene
  • NPNUFJAVOOONJE-WDZFZDKYSA-N
  • 4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
  • 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #
  • 13877-93-5
  • CIS-4,11,11-TRIMETHYL-8-METHYLENE-BICYCLO(7.2.0)UNDECA-4-ENE
  • VS-00870
  • AKOS005378035
  • (z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene, AldrichCPR
  • 8-Methylene-4,11-(trimethyl)bicyclo[7.2.0]undec-4-ene
  • NPNUFJAVOOONJE-IZZDOVSWSA-N
  • CHEBI:63191
  • (A+/-)-caryophyllene
  • E-.beta.-caryophyllene
  • CARYOPHYLLENE ,ALPHA + BETA MIXT.
  • (E)-.beta.-Caryophylene
  • Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
  • Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-
  • .beta.-Caryophyllene, (-)
  • Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-, (E)-(1R,9S)-(-)-
  • (+)(E)-Caryophyllene
  • beta-Caryophyllene (1)
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9R*)]-
  • 9-epi-trans-Caryophyllene
  • C20478
  • (1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • 9-epi-(E)-caryophyllene
  • 9-epi-.beta.-Caryophyllene
  • (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • (1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9R)-
  • (E)-2-epi-beta-caryophyllene
  • 2-epi-(E)-beta-Caryophyllene
  • CHEBI:68667
  • (+)-9-epi-.beta.-Caryophyllene
  • BDBM113763
  • epi-.beta.-Caryophyllene
  • NPNUFJAVOOONJE-QWAJQTJBSA-N
  • Q27137093
物化性质
实验特性
LogP 4.72520
PSA 0.00000
Merck 1875
折射率 n20/D 1.499
沸点 262-264 °C(lit.)
熔点 <25°C
闪点 华氏:204.8 °F
摄氏:96 °C
FEMA 2252 | BETA-CARYOPHYLLENE
溶解度 less than 1 mg/mL at 70° F (NTP, 1992)
浓度 2000 μg/mL in methanol
颜色与性状 Oil
溶解性 不溶于水,溶于乙醇
比旋光度 D -8 to -9° (chloroform)
光学活性 [α]20/D −10±1°, neat
密度 0.902 g/mL at 20 °C(lit.)
折光率 1.498-1.504
计算特性
精确分子量 204.18800
氢键供体数量 0
氢键受体数量 0
可旋转化学键数量 0
同位素质量 204.188
重原子数量 15
复杂度 293
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4.4
表面电荷 0
拓扑分子极性表面积 0
分子量 204.35
国际标准相关数据
EINECS 201-746-1
海关数据
海关编码 2902199090
海关数据

中国海关编码:

2902199090

概述:

2902199090 其他环烷烃、环烯烃及环萜烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%

申报要素:

品名, 成分含量

Summary:

2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

相关文献
专业数据库参考
PubChemId 87565865
参考资料
Reaxys RN 2044564
Beilstein 2044564
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