1211-29-6 (茉莉酮酸甲酯,Methyl jasmonate)

CAS号:
1211-29-6
中文名称:
茉莉酮酸甲酯
英文名称:
Methyl jasmonate
分子式:
C13H20O3
分子量:
224.296104431152
植物源:

茉莉酮酸甲酯(1211-29-6)名称与标识符

名称

中文别名:
茉莉酮酸甲酯;2H茉莉酮酸甲酯;茉莉酸甲酯;去甲甲琥胺;反-3-氧代-2-(顺-2-戊烯基)-环戊乙酸甲酯;(1R,2R)-3-氧代-2-(2Z)-2-戊烯-1-基环戊乙酸甲酯;
英文别名:
Cyclopentaneaceticacid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-;Methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate;Methyl jasmonate;(Z)]]-;(Z)]]-3-oxo-2-(pent-2-enyl)cyclopentaneacetate;Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester;Methyl cis-jasmonate;Z-Methyl jasmonoate;(1R,2R)-3-Oxo-2-(2Z)-2-penten-1-ylcyclopentaneacetic acid methyl ester;3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, methyl ester;39924-52-2;CHEMBL2139332;Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, (Z)-trans-;SCHEMBL36186;Q26840883;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-;JASMONIC ACID METHYL ESTER [MI];AS-75742;UNII-900N171A0F;Cyclopentaneaceticacid,3-oxo-2-(2Z)-2-penten-1-yl-,methyl ester,(1R,2R)-;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)-rel-;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-rel-;A891945;EINECS 214-918-6;(-)-Jasmonic acid methyl ester;CMC_7389;1211-29-6;(3R,7R)-Methyl jasmonate;(3R,7R)-(?)-Methyl jasmonate;Methyl (1R-(1alpha,2beta(Z)))-3-oxo-2-(pent-2-enyl)cyclopentaneacetate;CHEBI:15929;(-)-Jasmonic acid, methyl ester (trans);Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, (1R-(1alpha,2beta(Z)))-;3-oxo-2-(2-pentenyl)cyclopentaneacetic acid methyl ester;Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (1theta-(1alpha,2beta(Z)))-;HSDB 8131;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)-;900N171A0F;DTXSID3036731;20073-13-6;LMFA02020010;Methyl (2-pent-2-enyl-3-oxo-1-cyclopentyl)acetate;METHYL JASMONATE [FHFI];Methyl jasmonic acid;Methyljasmonate;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1R-[1alpha,2beta(Z)]]-;CMC_13964;methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;FEMA 3410;BDBM50509748;Methyl dl-jasmonate;methyl 2-((1R,2R)-3-oxo-2-pent-2Z-enyl)cyclopentyl)acetate;Cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, methyl ester, (1R,2R)-;(+-)-Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester;(-)-Methyl jasmonate;AKOS015950850;CYCLOPENTANEACETIC ACID, 3-OXO-2-(2-PENTENYL)-, METHYL ESTER, (1R-(1.ALPHA.,2.BETA.(Z)))-;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans- (8CI);CS-0113712;D94878;methyl (-)-jasmonate;FEMA No. 3410;Jasmonic acid methyl ester;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (1R-(1alpha,2beta(Z)))-;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)- (9CI);EINECS 243-497-1;HY-135663;Methyl (1alpha,2beta(Z))-(1)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate;methyl {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate;8171C3E0-B789-4211-B5C1-88C6B260AE3C;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-;

标识符

MDL:
MFCD00151382
InChIKey:
GEWDNTWNSAZUDX-WQMVXFAESA-N
Inchi:
1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
SMILES:
O=C1CC[C@H](CC(=O)OC)[C@H]1C/C=C\CC

茉莉酮酸甲酯(1211-29-6)物化性质

实验特性

  • 折射率 : n20/D 1.474(lit.)
  • 沸点 : 110℃(0.2
  • 闪点 : >230 °F
  • FEMA : 3410 | METHYL JASMONATE
  • 颜色与性状 : 无色油状液体
  • 溶解性 : 溶于乙醇与油类
  • 比旋光度 : D -76.5° (c = 3.4 in CH3OH)
  • 密度 : 1.03 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 224.141
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 224.141
  • 重原子数量 : 16
  • 复杂度 : 281
  • 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) : 1.9
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 43.4A^2

茉莉酮酸甲酯(1211-29-6)安全信息

茉莉酮酸甲酯(1211-29-6)国际标准相关数据

EINECS:
214-918-6

茉莉酮酸甲酯(1211-29-6)生产方法和用途

用途:
1、广泛用于人工配制茉莉净油中,也用于茉莉香基中,但因价格较高,实际上还未得到广泛的应用。

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