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异丁香酚 | 97-54-1

异丁香酚
Isoeugenol
97-54-1
C10H12O2
164.201083183289
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异丁香酚结构式
853433
异丁香酚价格
简介
异丁香酚是化学物质,Isoeugenol,分子式是C10H12O2,分子量是164.12。用于配制香精和制备香兰素。可用于配制依兰、肉豆蔻等精油;也可用以配制悬钩子、桃子、辛香型、丁香型香味的食用香精。是半合成香兰素的原料。
名称和标识符
MDL MFCD00009285
InChIKey BJIOGJUNALELMI-UHFFFAOYSA-N
Inchi 1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3
SMILES OC1C(OC)=CC(C=CC)=CC=1
BRN 1909602
别名信息
- 中文别名 -
  • 异丁香酚
  • 4-丙烯基-2-甲氧基苯酚
  • 异丁香酚 (顺反异构体混和物)
  • 2-甲氧基-4-(1-丙烯基)-苯酚
  • 2-甲氧基-4-丙烯基苯酚
  • Isoeugenol (cis- and trans- mixture) 异丁香酚 (顺反异构体混和物)
  • WAKO091-052914-丙烯基-2-甲氧基苯酚标准品
  • 丁香酚
  • 异EUGENOL(CIS AND TRANS 混合物)(P)
  • 异丁香
  • 异丁香酚 标准品
  • 异丁香酚(4-丙烯基-2-甲氧基苯酚、对丙烯基邻甲氧基本酚、异丁子香酚)
  • 异丁香酚(顺反异构体混合物)
  • 异丁香酚(顺式+反式) 标准品
  • 异丁香酚(顺式和反式异构体混合物)
  • 异丁香酚(正+反)
  • 异丁香酚, 顺反异构体混合物
  • 异丁香酚食品级
  • 异丁子香酚
  • 2-甲氧基-(1-丙烯)酚
  • 2-甲氧基-(1-丙烯)酚,异丁香油酚,异丁子香酚,对丙烯基邻甲氧基本酚
  • 4-丙烯基-2-甲氧基苯酚、异丁子香酚
  • 顺﹑反式-异丁香油酚
  • 异丁香酚(正+反),Isoeugenol ,分析标准品,用于环境分析
  • 异丁香油酚
  • 异丁香子酚
  • 丙烯基愈创木酚 (顺反混合物)
  • 4-羟基-3-甲氧基-1-丙烯基苯 (顺反混合物)
- 英文别名 -
  • 2-Methoxy-4-(prop-1-en-1-yl)phenol
  • 1-Hydroxy-2-methoxy-4-propen-1-yl benzene
  • 1-hydroxy-2-methoxy-4-propenyl-(cis)benzene
  • 2-Methoxy-4-(1-propenyl) phenol
  • 2-Methoxy-4-propenylphenol
  • 4-Hydroxy-3-methoxy-1-propenylbenzene
  • 4-Propenyl-2-methoxyphenol
  • 4-Propenylguaiacol
  • Isoeugenol
  • Isoeugenol (cis- and trans- mixture)
  • Isoeugenol (Z+E)
  • 3-Methoxy-4-Hydroxyphenylglycol Sulfate
  • 4-hydroxy-3-methoxyphenylethylene glycol 4-sulfate potassium salt
  • 4-HYDROXY-3-METHOXYPHENYLGLYCOL SULFATE POTASSIUM SALT
  • 4-HYDROXY-3-METHOXYPHENYLGLYCOL*4-SULFAT E POTASSIUM
  • 4-hydroxy-3-methoxy-phenylglycol4-sulfate
  • 4-hydroxy-3-methoxystilbene
  • Isoeugenol (Mixture of IsoMers)
  • Isoeugenol, mixture of cis
  • MHPG SULFATE POTASSIUM SALT
  • MOPEG SULFATE
  • MOPEG sulfate potassium salt
  • NOREPINEPHRINE METABOLITE-D3 POTASSIUM S
  • trans isomers
  • trans-4-hydroxy-3-methoxystilbene
  • 4-Hydroxy-3-methoxy-1-propenylbenzene (cis- and trans- mixture)
  • Propenylguaiacol (cis- and trans- mixture)
  • (E)-Isoeugenol
  • trans-Isoeugenol
  • trans-p-Propenylquaiacol
  • 4-Hydroxy-3-methoxypropenylbenzene
  • Isoeugenol trans-form
  • Phenol, 2-methoxy-4-propenyl-
  • 1-Hydroxy-2-methoxy-4-propenylbenzene
  • trans-2-Methoxy-4-propenylphenol
  • 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
  • (E)-2-Methoxy-4-(prop-1-enyl)phenol
  • 2-METHOXY-4-(1-PROPENYL)PHENOL
  • Isoeugenol (I)
  • Phenol, 2-metho
  • 2-Methoxy-4-(1-propen-1-yl)phenol (ACI)
  • Phenol, 2-methoxy-4-(1-propenyl)- (9CI)
  • Phenol, 2-methoxy-4-propenyl- (8CI)
  • 1-(3-Methoxy-4-hydroxyphenyl)-1-propene
  • 2-Methoxy-4-(1-propenyl)phenol
  • 3-Methoxy-4-hydroxy-1-propenylbenzene
  • 4-(1-Propenyl) Guaiacol
  • 4-Hydroxy-3-methoxy-β-methylstyrene
  • iso-Eugenol
  • NSC 6769
物化性质
实验特性
LogP 2.43390
PSA 29.46000
Merck 5171
折射率 n20/D 1.575(lit.)
沸点 132 °C/10 mmHg(lit.)
熔点 27 °C (lit.)
蒸气压 <0.01 mmHg ( 20 °C)
闪点 华氏:233.6 °F
摄氏:112 °C
FEMA 2468 | ISOEUGENOL
浓度 2000 μg/mL in methanol
颜色与性状 不可用
稳定性 Stable. Incompatible with strong oxidizing agents.
溶解性 不可用
密度 1.083 g/mL at 25 °C
计算特性
精确分子量 164.08400
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 2
同位素质量 164.083729621 g/mol
重原子数量 12
复杂度 154
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) 2.6
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 29.5
分子量 164.20
国际标准相关数据
EINECS 202-590-7
海关数据
海关编码 2909500000
海关数据

中国海关编码:

2909500000

概述:

2909500000. 醚酚、醚醇酚及其卤化、磺化、硝化或亚硝化衍生物. 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:

2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Method for preparing vanitrope from sassafras oil
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Bioconversion of Lignin-Derived Feedstocks to Muconic Acid by Whole-Cell Biocatalysis
Chen, Yufen; Fu, Bixia; Xiao, Gezhi; Ko, Liang-Yu; Kao, Tzu-Yu; et al, ACS Food Science & Technology, 2021, 1(3), 382-387

合成路线:1 步

反应条件:
参考文献:
A novel synthesis of isoeugenol, [ring-(U)-14C]
Immoos, John E. Jr., Journal of Labelled Compounds and Radiopharmaceuticals, 2015, 58(11-12), 419-424

合成路线:1 步

反应条件:
参考文献:
New selectivities from old catalysts. Occlusion of Grubbs' catalysts in PDMS to change their reactions
Runge, M. Brett; Mwangi, Martin T.; Bowden, Ned B., Journal of Organometallic Chemistry, 2006, 691(24-25), 5278-5288

合成路线:1 步

反应条件:
参考文献:
Micellar promoted alkenes isomerization in water mediated by a cationic half-sandwich Ru(II) complex
Sperni, Laura; Scarso, Alessandro; Strukul, Giorgio, Inorganica Chimica Acta, 2017, , 535-539

合成路线:1 步

反应条件:
参考文献:
CSJ acting as a versatile highly efficient greener resource for organic transformations
Maity, Himadri Sekhar; Misra, Kaushik; Mahata, Tanushree; Nag, Ahindra, RSC Advances, 2016, 6(29), 24446-24450

合成路线:1 步

反应条件:
参考文献:
Base-catalyzed isomerization of eugenol: solvent-free conditions and microwave activation
Loupy, A.; Le Ngoc Thach, Synthetic Communications, 1993, 23(18), 2571-7

合成路线:1 步

反应条件:
参考文献:
A novel method for preparation and purification of eugenol and isoeugenol polymers using protected monomers in cationic polymerization
Mojarrad, S. J.; Davaran, S.; Ghasemi, S.; Anzali, S., Ulum-i Daroei, 2008, 14(4),

合成路线:1 步

反应条件:
参考文献:
A mild method for the deprotection of tetrahydropyranyl (THP) ethers catalyzed by iron(III) tosylate
Bockman, Matthew R.; Angeles, Veronica V.; Martino, Julia M.; Vagadia, Purav P.; Mohan, Ram S., Tetrahedron Letters, 2011, 52(51), 6939-6941

合成路线:1 步

参考文献:
Alkali/alkaline earth ion-exchanged and palladium dispersed MCM-22 zeolite as a potential catalyst for eugenol isomerization and Heck coupling reactions
Sahu, P.; Haripriya, T. V.; Sreenavya, A.; Shanbhag, G. V. ; Augustin, A.; et al, Journal of Chemical Sciences (Berlin, 2020, 132(1),

合成路线:1 步

反应条件:
参考文献:
Method for preparing vanillin from eugenol extracted from lilac
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Organic ethylene compound isomerization using nickel(0) complexes
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation method of isoeugenol from eugenol
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Technology for preparation of isoeugenol benzyl ether
Liu, Changxin; Wang, Lei; Xu, Yangwu, Jinan Daxue Xuebao, 2008, 22(1), 63-65

合成路线:1 步

反应条件:
参考文献:
Improved isomerization of eugenol
Yang, Limeng; He, Lin; Tan, Xiaofang, Guangdong Huagong, 2013, 40(15),

合成路线:1 步

反应条件:
参考文献:
Potassium fluoride on alumina. A versatile reagent for isomerization of olefins
Radhakrishna, A. S.; Suri, S. K.; Rao, K. R. K. Prasad; Sivaprakash, K.; Singh, B. B., Synthetic Communications, 1990, 20(3), 345-8

合成路线:1 步

反应条件:
参考文献:
Method of forming monomers and furfural from lignocellulose
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Comparative studies of homogeneous and heterogeneous catalyses. IV. Hydrogenation and isomerization of olefinic double bonds catalyzed by iridium metal complex and metallic palladium
Takagi, Yuzuru; Kudou, Misa; Murata, Chika; Yada, Satoru; Hiyamizu, Makoto, Kenkyu Kiyo - Nihon Daigaku Bunrigakubu Shizen Kagaku Kenkyusho, 1993, 28, 155-60

合成路线:1 步

反应条件:
参考文献:
Synthesis and functionality of eugenol-based polyacetylenes
Rahim, E. A.; Sanda, F., Journal of Physics: Conference Series, 2019, 1242,

合成路线:1 步

反应条件:
参考文献:
Metal-Organic-Framework-Derived Copper Catalysts for the Hydrogenolysis of Lignin into Monomeric Phenols
Wang, Qiang; Xiao, Ling-Ping ; Lv, Yi-Hui; Yin, Wen-Zheng; Hou, Chuan-Jin; et al, ACS Catalysis, 2022, 12(19), 11899-11909

合成路线:1 步

反应条件:
参考文献:
Synthesis of Chalcone Derivative from Clove Leaf Waste as a Natural Antioxidant
Eden, Willy Tirza; Alighiri, Dante; Wijayati, Nanik; Mursiti, Sri, Pharmaceutical Chemistry Journal, 2021, 55(3), 269-274

合成路线:1 步

反应条件:
参考文献:
Catalytic depolymerization of Kraft lignin to high yield alkylated-phenols over CoMo/SBA-15 catalyst in supercritical ethanol
Rana, Masud; et al, RSC Advances, 2023, 13(43), 30022-30039

合成路线:1 步

反应条件:
参考文献:
Lignin Depolymerization: A Comparison of Methods to Analyze Monomers and Oligomers
Bartolomei, Erika; et al, ChemSusChem, 2020, 13(17), 4633-4648
专业数据库参考
PubChemId 853433
参考资料
Reaxys RN 2046156
Beilstein 1909602
产品用途
用作香精中间体
异丁香酚推荐生产厂家
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