异丁酸芳樟酯 | 78-35-3
中文名称:
异丁酸芳樟酯
英文名称:
Linalyl isobutyrate
CAS No.:
78-35-3
分子式:
C1 4 H2 4 O2
分子量:
224.33916
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异丁酸芳樟酯结构式
名称和标识符
MDL
MFCD00048312
InChIKey
JZIARAQCPRDGAC-UHFFFAOYSA-N
Inchi
1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
SMILES
C(OC(CC/C=C(/C)\C)(C=C)C)(=O)C(C)C
别名信息
- 中文别名 -
异丁酸芳樟酯
1-乙烯基-1,5-二甲基-4-己烯基异丁酸酯
3,7-二甲基-1,6-辛二烯-3-醇异丁酸酯
丁酸-1-乙烯基-1,5-二甲基-4-己烯基酯
2-甲基-1-乙烯基-1,5-二甲基-4-己烯醇丙酸酯
- 英文别名 -
Linalyl isobutyrate
3,7-Dimethylocta-1,6-dien-3-yl isobutyrate
Isobutyric acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
物化性质
实验特性
LogP
3.87670
PSA
26.30000
折射率
1.4576 (estimate)
沸点
305.75°C (rough estimate)
FEMA
2640 | LINALYL ISOBUTYRATE
密度
1.0013 (rough estimate)
计算特性
精确分子量
224.17800
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
7
重原子数量
16
复杂度
273
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
1
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)
4.3
互变异构体数量
无
表面电荷
0
海关数据
海关编码
2915600000
海关数据
中国海关编码:
2915600000
概述:
HS:2915600000 丁酸、戊酸及其盐和酯 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
相关文献
1.
Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands
Steve Ullmann,René Schnorr,Christian Laube,Bernd Abel,Berthold Kersting Dalton Trans. 2018 47 5801
2.
A review: the botany, ethnopharmacology, phytochemistry, pharmacology of Cinnamomi cortex
Songtao Liu,Liu Yang,Senwang Zheng,Ajiao Hou,Wenjing Man,Jiaxu Zhang,Song Wang,Xuejiao Wang,Huan Yu,Hai Jiang RSC Adv. 2021 11 27461
3.
A review: the botany, ethnopharmacology, phytochemistry, pharmacology of Cinnamomi cortex
Songtao Liu,Liu Yang,Senwang Zheng,Ajiao Hou,Wenjing Man,Jiaxu Zhang,Song Wang,Xuejiao Wang,Huan Yu,Hai Jiang RSC Adv. 2021 11 27461
4.
873. The synthesis of benzofurans
B. R. Brown,G. A. Somerfield,P. D. J. Weitzman J. Chem. Soc. 1958 4305
5.
New chemistry of porphyrin β-ketoesters: synthesis of a novel
covalently-linked dimer
Robert T. Holmes,Jack J. Lin,Richard G. Khoury,Colin P. Jones,Kevin M. Smith covalently-linked dimer. Robert T. Holmes Jack J. Lin Richard G. Khoury Colin P. Jones Kevin M. Smith Chem. Commun. 1997 819
6.
Synthesis and structures of copper(II) anion-bridged aggregates and chains: control over molecular shape
Anne C. Deveson,Sarah L. Heath,Charles J. Harding,Annie K. Powell J. Chem. Soc. Dalton Trans. 1996 3173
7.
Lithiation of 2-Me3SiCHRC5H4N(R = H or SiMe3): influence of solvent on the nature of the product (from X-ray structure determinations) and asymmetric induction. A note on the lithiation of some analogous 3- and 4-methylpyridines
Rocco I. Papasergio,Brian W. Skelton,Paul Twiss,Allan H. White,Colin L. Raston J. Chem. Soc. Dalton Trans. 1990 1161
8.
Carboxyester hydrolysis promoted by dizinc(ii) macrocyclic polyamine complexes with hydroxyethyl pendants: a model study for the role of the serine alkoxide nucleophile in zinc enzymes
Shu-An Li,De-Xi Yang,Dong-Feng Li,Jin Huang,Wen-Xia Tang New J. Chem. 2002 26 1831
960化工网为您提供异丁酸芳樟酯专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:78-35-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等