13040-19-2 ((9Z,12R)-12-羟基-9-十八烯酸锌盐(2:1),9-Octadecenoic acid,12-hydroxy-, zinc salt (2:1), (9Z,12R)-)

CAS号:
13040-19-2
中文名称:
(9Z,12R)-12-羟基-9-十八烯酸锌盐(2:1)
英文名称:
9-Octadecenoic acid,12-hydroxy-, zinc salt (2:1), (9Z,12R)-
分子式:
C36H66O6Zn
分子量:
660.314649105072

(9Z,12R)-12-羟基-9-十八烯酸锌盐(2:1)(13040-19-2)名称与标识符

名称

中文别名:
蓖麻油酸锌;(9Z,12R)-12-羟基-9-十八碳烯酸锌盐(2:1);(9Z,12R)-12-羟基-9-十八烯酸锌盐;(9Z,12R)-12-羟基-9-十八烯酸锌盐(2:1);2,2-二氟-1,3-苯并二噁茂-4-羧酸;蓖麻醇酸锌;活性蓖麻油酸锌;气味吸收剂-蓖麻油酸锌;
英文别名:
9-Octadecenoic acid,12-hydroxy-, zinc salt (2:1), (9Z,12R)-;Zinc castor oleate;ZINC RICINOLEATE;zinc,(Z,12R)-12-hydroxyoctadec-9-enoate;9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(R-(Z));Di-ricinoleato de cinc;Ricinoleic acid,zinc salt;UNII-BOH1Z111J2;Zinc diricinoleate;Zinkdiricinoleat;9-Octadecenoicacid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]-;Ricinoleic acid, zinc salt (2:1)(8CI);Kosmos 54;Tego Sorb A 30;Tego Sorb PY 88 TQ;Zinc ricinolate;Bisricinoleic acid zinc salt;Zinc(II) (R,E)-12-hydroxyoctadec-9-enoate;Bis[(9Z,12R)-12-hydroxy-9-octadecenoic acid]zinc salt;13040-19-2;EC 235-911-4;9-Octadecenoic acid,12-hydroxy-,zinc salt(2:1),(9Z,12R)-;9-OCTADECENOIC ACID, 12-HYDROXY-, ZINC SALT (2:1), (.THETA.-(Z))-;Zinc(II) (R,Z)-12-hydroxyoctadec-9-enoate;9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), (9Z,12R)-;DTXSID30891887;SCHEMBL15532;ZINC BIS((9Z,12R)-12-HYDROXYOCTADEC-9-ENOATE);9-Octadecenoic acid, 12-hydroxy-, zinc salt;EINECS 296-739-3;zinc;(Z,12R)-12-hydroxyoctadec-9-enoate;9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), (theta-(Z))-;93028-47-8;DB-247199;(9Z,12r)-12-hydroxy-9-octadecenoic acid zinc salt (2:1);EINECS 235-911-4;9-Octadecenoic acid, 12-hydroxy-, zinc salt (2:1), (R-(Z))-;9-Octadecenoic acid, 12-hydroxy-, zinc salt, (R-(Z))-, basic;RICINOLEIC ACID, ZINC SALT (2:1);12-Hydroxy-9-octadecenoic acid, zinc salt;NS00075785;Q8072306;AI3-22063;BOH1Z111J2;ZINC RICINOLEATE [MART.];Ricinoleic acid, zinc salt;

标识符

InChIKey:
GAWWVVGZMLGEIW-GNNYBVKZSA-L
Inchi:
1S/2C18H34O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9-;/t2*17-;/m11./s1
SMILES:
[Zn+2].O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC

(9Z,12R)-12-羟基-9-十八烯酸锌盐(2:1)(13040-19-2)物化性质

实验特性

  • LogP : 7.48670
  • PSA : 120.72000
  • 沸点 : 416.4°C at 760 mmHg
  • 闪点 : 219.8°C

计算特性

  • 精确分子量 : 658.41500
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 28
  • 同位素质量 : 658.415086
  • 重原子数量 : 43
  • 复杂度 : 256
  • 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 : 2
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 3
  • 拓扑分子极性表面积 : 121

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