21391-98-0 (水芹醛,4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde)

快速询单

结构式：

水芹醛MOL文件

CAS号：

21391-98-0

中文名称：

水芹醛

英文名称：

4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde

分子式：

C₁₀H₁₆O

分子量：

152.233443260193

水芹醛(21391-98-0)名称与标识符

名称

中文别名：

水芹醛;

英文别名：

1-Cyclohexene-1-carboxaldehyde,4-(1-methylethyl)-;4-[1-Methylethyl]-1-cyclohexene-1-carboxaldehyde;4-Isopropyl-1-cyclohexene-1-carbaldehyde;4-isopropylcyclohexenecarbaldehyde;Phellandral;p-Menth-1-en-7-al;4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde;UNII-O55U5SW7ZR;DTXSID50871323;4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXALDEHYDE;4-propan-2-ylcyclohexene-1-carbaldehyde;1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-;Q27285352;CHEBI:167401;NS00050435;AEVLWICMAHGAMS-UHFFFAOYSA-N;Z1511742698;EINECS 244-355-1;21391-98-0;4-PROPAN-2-YLCYCLOHEXENE-1-CARBOXALDEHYDE;(S)-Phellandral;EN300-2918380;SCHEMBL220029;O55U5SW7ZR;

标识符

MDL：

MFCD24673743

InChIKey：

AEVLWICMAHGAMS-UHFFFAOYSA-N

Inchi：

1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3

SMILES：

O=CC1=CCC(CC1)C(C)C

水芹醛(21391-98-0)物化性质

实验特性

PSA : 17.07
折射率 : 1.4911 (estimate)
沸点 : 223°C (estimate)
闪点 : 83.6°C
密度 : 0.9300

计算特性

精确分子量 : 152.12018
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 : 152.120115
重原子数量 : 11
复杂度 : 168
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） : 2.7
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 17.1

水芹醛(21391-98-0)推荐厂家更多厂家(1)

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水芹醛(21391-98-0)相关文献

1. 40. The carbonyl constituents of eucalyptus oils. Part IV. The constitution of phellandral. d-, l-, and dl-β-isopropyladipic acids
G. Burger,A. Killen Macbeth J. Chem. Soc. 1946 145
2. A synthesis of (±)-phellandral
D. T. C. Gillespie,P. R. Jefferies,A. Killen Macbeth,M. J. Thompson J. Chem. Soc. 1955 665
3. 298. The carbonyl constituents of eucalyptus oils. Part II. The seasonal variation of E. cneorifolia oil
P. A. Berry,A. Killen Macbeth,T. B. Swanson J. Chem. Soc. 1937 1443
4. XXXIII.—A critical examination of the aromatic aldehydes occurring in certain eucalyptus oils
Arthur Ramon Penfold J. Chem. Soc. Trans. 1922 121 266
5. 299. d-Phellandral and d-4-isopropyl-Δ2-cyclohexen-1-one
P. A. Berry,A. Killen Macbeth,T. B. Swanson J. Chem. Soc. 1937 1448
6. 81. Reactions of αβ-unsaturated cyclic aldehydes and ketones. Part VII. Alcohols derived from phellandral
J. P. E. Human,A. Killen Macbeth,H. J. Rodda J. Chem. Soc. 1949 350
7. 265. Reactions of αβ-unsaturated cyclic aldehydes and ketones. Part II. Absorption spectra of typical compounds and their dihydroderivatives
R. G. Cooke,A. Killen Macbeth J. Chem. Soc. 1938 1408
8. 150. The carbonyl constituents of eucalyptus oils. Part III. The constitution of phellandral. d-, l-, and dl(Synthetic)-phellandric acids
R. G. Cooke,A. Killen Macbeth,T. B. Swanson J. Chem. Soc. 1940 808
9. Global detection and analysis of volatile components from sun-dried and sulfur-fumigated herbal medicine by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry
Gang Cao,Hao Cai,Xiaodong Cong,Xiao Liu,Xiaoqing Ma,Yajing Lou,Kunming Qin,Baochang Cai Analyst 2012 137 3828
10. 206. The carbonyl constituents of eucalyptus oils. Part I. The occurrence of cryptal
P. A. Berry,A. Killen Macbeth,T. B. Swanson J. Chem. Soc. 1937 986