肉桂酸异丁酯 | 122-67-8
中文名称:
肉桂酸异丁酯
英文名称:
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
CAS No.:
122-67-8
分子式:
C1 3 H1 6 O2
分子量:
204.2649
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:肉桂酸异丁酯结构式
名称和标识符
MDL
MFCD00038289
InChIKey
IQZUZPKOFSOVET-UHFFFAOYSA-N
Inchi
1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
SMILES
O(C(C([H])=C([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
肉桂酸异丁酯
3-苯基丙烯酸异丁酯
桂酸异丁酯
氮化硅晶须
对氯肉桂酸丁酯
肉桂酸丙酯
3-苯基-2-丙烯酸-2-甲基丙酯
Β-苯基丙烯酸异丁酯
桂皮酸异丁酯
肉桂酸异丁酯,3-苯基丙烯酸异丁酯,Β-苯基丙烯酸异丁酯
- 英文别名 -
Isobutyl cinnamate
2-Methylpropyl 3-phenylpropenoate
cinnamic acid isobutyl ester
FEMA 2193
i-butyl cinnamate
Isobutyl ciamate
Isobutyl cinammate
ISOBUTYL CINNAMATE FCC
Isobutylcinnamat
Labdanol
Zimtsaeure-isobutylester
ISOBUTYL CINNAMATE, 98+%
cinnamicacid,isobutylester
Cinnamic acid, isobutyl ester
ISOBUTYL CINNAMATE 98+% FCC
E-Isobutyl cinnamate
Isobutyl 3-phenylacrylate
2-methylpropyl 3-phenylprop-2-enoate
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
DSSTox_CID_27646
DSSTox_RID_82473
DSSTox_GSID_47646
CBDivE_001758
KSC490A0L
isobutyl 3-phenylprop-2-enoate
Tox21_302557
RP17498
SY015388
ISOBUTYL CINNAMATE
4NCI0MR7KP
iso-Butyl cinnamate
E-Isobutylcinnamate
NSC-404181
NSC-404181
CHEMBL2286136
CHEMBL2286136
UNII-4NCI0MR7KP
UNII-4NCI0MR7KP
ISOBUTYL CINNAMATE [FHFI]
ISOBUTYL CINNAMATE [FHFI]
Isobutyl cinnamate, >=98%
Isobutyl cinnamate, >=98%
NSC 404181
NSC 404181
Isobutyl beta-phenylacrylate
Isobutyl beta-phenylacrylate
NCGC00256819-01
NCGC00256819-01
isobutylcinnamat
isobutylcinnamat
2-Methylpropyl cinnamate
2-Methylpropyl cinnamate
Isobutyl cinnamate, >=98%, FCC, FG
Isobutyl cinnamate, >=98%, FCC, FG
2-methylpropyl (E)-3-phenylprop-2-enoate
2-methylpropyl (E)-3-phenylprop-2-enoate
IQZUZPKOFSOVET-CMDGGOBGSA-N
IQZUZPKOFSOVET-CMDGGOBGSA-N
31416-74-7
31416-74-7
AKOS005415735
AKOS005415735
AI3-02384
AI3-02384
2-Methylpropyl beta-phenylacrylate
2-Methylpropyl beta-phenylacrylate
DTXSID2047646
DTXSID2047646
SCHEMBL868714
SCHEMBL868714
122-67-8
DTXCID0027646
122-67-8
DTXCID0027646
AC7839
CS-W015404
AC7839
NS00012675
CS-W015404
NSC404181
NS00012675
Q27260243
NSC404181
AKOS025310762
Q27260243
BS-14632
AKOS025310762
CAS-122-67-8
BS-14632
EINECS 204-564-0
CAS-122-67-8
HMS1577E01
EINECS 204-564-0
HMS1577E01
MFCD00038289
MFCD00038289
LS-14218
LS-14218
FEMA No. 2193
FEMA No. 2193
CINNAMIC ACID, ISOBUTYL ESTER
CINNAMIC ACID, ISOBUTYL ESTER
Isobutyl 3-phenylpropenoate
Isobutyl 3-phenylpropenoate
WLN: 1Y1&1OV1U1R
WLN: 1Y1&1OV1U1R
ISOBUTYL CINNAMATE [FCC]
ISOBUTYL CINNAMATE [FCC]
2-Methylpropyl 3-phenyl-2-propenoate
2-Methylpropyl 3-phenyl-2-propenoate
CHEBI:192920
CHEBI:192920
Isobutyl (2E)-3-phenyl-2-propenoate #
Isobutyl (2E)-3-phenyl-2-propenoate #
物化性质
实验特性
LogP
2.89900
PSA
26.30000
折射率
n20/D 1.54(lit.)
沸点
287 °C(lit.)
闪点
华氏:235.4 °F 摄氏:113 °C
FEMA
2193
颜色与性状
无色油状液体。呈芳甜果香和油脂味
溶解性
混溶于乙醇、乙醚、氯仿和大多数非挥发性油,微溶于丙二醇,不溶于水。
密度
1 g/mL at 25 °C(lit.)
计算特性
精确分子量
204.11500
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
5
同位素质量
204.115
重原子数量
15
复杂度
213
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
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
表面电荷
0
拓扑分子极性表面积
26.3
海关数据
海关编码
2916399090
海关数据
中国海关编码:
2916399090
概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
生产方法和用途
方法
由桂酰氯与异丁醇共热而得。
用途
常作为岩蔷薇制品及琥珀香-龙涎香香韵的香料的和合剂与修饰剂用于香精配方中。也能与橡苔和树苔制品、广藿香油、岩兰草油、香豆素、洋茉莉醛、硝基麝香类等很好地协调和合。也常用于东方香型的配方中。还可用于巧克力、樱桃、可可、桃子、草莓、悬钩子等食用香精中。
GB 2760--1996规定为允许使用的食用香料。主要用以配制醋栗、桃、草莓、樱桃、可可、巧克力等各种香气浓厚的香精。
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