8007-12-3 (肉豆蔻油,Nutmeg oil)

CAS号:
8007-12-3
中文名称:
肉豆蔻油
英文名称:
Nutmeg oil
分子量:
0

肉豆蔻油(8007-12-3)名称与标识符

名称

中文别名:
肉豆蔻油;肉豆蔻;肉豆蔻衣油;肉豆蔻(MYRISTICA FRAGRANS)仁油;肉豆蔻衣;肉豆蔻脂;
英文别名:
Nutmeg oil;Mace oil;nutmeg oleoresin;NCGC00091207-02;Phenylchloromethylketone;a-Chloroacetophenone;A-Chloro acetophenone;4638-79-3;BRN 0507950;.alpha.-Phenacyl chloride;Chloroacetophenone, 2-;Chemical mace;NM-003;alpha-Chloroacetophenone;Benzeneacetaldehyde, a-chloro-;omega-Chloroacetophenone;NS00020661;EINECS 208-531-1;2-chloroacetophenon;AI3-52322;2-Chloroacetophenone(phenacylchloride);PHENYL CHLOROMETHYLKETONE;(2-Chloro-1-oxoethyl)benzene;FEMA No. 2654;Chloroacetophenone (CN), solid;Phenyl chloromethyl ketone;Mace (Myristica fragrans Houtt.);.OMEGA.-CHLOROACETOPHENONE [MI];Acetophenone, 2-chloro-;NCI-C56484;NCGC00091207-05;NCGC00091207-03;2-Chloroacetophenone, purum, >=98.0% (GC);2-Chloro-1-phenylethanone;88B5039IQG;HSDB 972;Caswell No. 179C;Chloroacetyl benzene;2-Chloroacetophenone, 98%;UNII-88B5039IQG;FEMA No. 2652;minyak phuli pala;NCGC00254035-01;Chloracetophenone;DTXCID90293;4-07-00-00641 (Beilstein Handbook Reference);Chloroacetophenone (CN), liquid [UN1697] [Poison];.omega.-Chloroacetophenone;CHLOROACETOPHENONE [MART.];2-chloro acetophenone;8007-12-3;NCGC00091207-04;OMEGA-CHLOROACETOPHENONE [HSDB];mace indonesia oil fg 5;minyak bunga pala;CAS-532-27-4;UNII-9KKX6I0U7Z;STR01480;NSC41666;2-Chloro-1-phenyl-ethanone;UN1697;Nutmeg fat;CHEMBL105712;NCI-C55107;1-Chloroacetophenone;WLN: G1VR;CHLOROACETOPHENONE;Benzoylmethyl chloride;2-CHLOROACETOPHENONE;NCGC00259624-01;?-Chloroacetophenone;I+/--chloroacetophenone;Chloroacetophenone (CN), solid [UN1697] [Poison];.alpha.-Chloroacetophenone;Phenacyl chloride;2-Chloro-1-phenylethan-1-one;Tox21_202075;GTPL6285;Phenacylchloride;2-chloro-acetophenone;Tear Gas;CCRIS 2370;MFCD00000933;FEMA No. 2653;Q284209;CN (lacrimator);1-Phenyl-2-chloro-1-ethanone;EPA Pesticide Chemical Code 018001;Ethanone, 2-chloro-1-phenyl-;NCGC00091207-01;9KKX6I0U7Z;DTXSID9020293;UN 1697;AKOS000200777;HSDB 1950;NSC-41666;SCHEMBL55444;Halomethyl Phenyl Ketone deriv. 21;Z57834468;BDBM7873;Chloroacetophenone (CN), liquid;Tox21_300045;532-27-4;2-Chloroacetophenone (CN);Mace (lacrimator);mace oil east indian;AMY8878;NSC 41666;Q-200259;Mace;Chloromethyl phenyl ketone;Fats and Glyceridic oils, nutmeg butter (13C, 14C);Fats, nutmeg butter (09C, 10C, 11C);Mace oil (02C);Myristica fragrans oil;Nutmeg oil, expressed;Nutmeg oils;Oil of mace;Oil of nutmeg;Oil of nutmeg, expressed;Oils, glyceridic, mace, expressed;Oils, Myristicafragrans;Vegetable oils, nutmeg butter;

标识符

InChIKey:
LLPXXXJSNSMISE-PHIZCRGKSA-N
Inchi:
InChI=1S/2C11H20.C10H16/c2*1-8(2)11-6-5-9(3)10(4)7-11;1-7-8-4-5-9(6-8)10(7,2)3/h5,8,10-11H,6-7H2,1-4H3;8,10-11H,3,5-7H2,1-2,4H3;8-9H,1,4-6H2,2-3H3/t2*10-,11-;/m11./s1
SMILES:
CC([C@@H]1CCC(=C)[C@H](C)C1)C.CC([C@@H]1CC=C(C)[C@H](C)C1)C.C=C1C2CCC(C2)C1(C)C

肉豆蔻油(8007-12-3)物化性质

实验特性

  • LogP : 2.08
  • 折射率 : 1.474 (20 C)
  • 沸点 : 244-245 deg C
  • 熔点 : 58-59 deg C; also reported as 54 deg C (Macy) and 56.5 deg C (Rheinboldt, Perrier)
  • 闪点 : 244 °F (NTP, 1992)
  • FEMA : 2653
  • 颜色与性状 : 无色至淡黄色挥发性精油,呈肉豆蔻所特有的香气和香味。
  • 密度 : 5.2 (NTP, 1992) (Relative to Air)
  • 电离电势 : 9.44 eV

计算特性

  • 精确分子量 : 154.018543
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 154.018543
  • 重原子数量 : 10
  • 复杂度 : 116
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 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) : 2.3
  • 拓扑分子极性表面积 : 17.1

肉豆蔻油(8007-12-3)生产方法和用途

生产方法:
由肉豆蔻科常绿乔木肉豆蔻(Myristica ragrans)成熟果实的假种皮经粉碎、干燥后再经水蒸气蒸馏而得。得率约5%。商品油分东印度型(或称印尼型)和西印度型两种。果实剥开后,用小刀将果核外面的肉质层假种皮小心割下,日光干燥10~15d(亦可人工干燥)后粉碎而成。