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丁香酚甲醚

12篇引用文献 COA COA
    级别和纯度:
  • ≥98%
有货

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货号 (SKU) 包装规格 是否现货 价格 数量
M101449-25ml
 25ml 现货 Stock Image
M101449-100ml
 100ml 现货 Stock Image
M101449-500ml
 500ml 现货 Stock Image
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基本描述

别名 4-烯丙基-1,2-二甲氧基苯 | 甲基丁香酚
英文别名 1-(3,4-Dimethoxyphenyl)-2-propene | 1,2-Dimethoxy-4-allyl benzene | 1,2-dimethoxy-4-prop-2-enylbenzene | Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)- | Eugenol methyl | Methyleugenol,(S) | SMR000112378 | UNII-29T9VA6R7M | BDBM50379791 | DTXSID5025607 | EN300
规格或纯度 ≥98%
英文名称 Methyleugenol
应用 用于配制依兰型、康乃馨型、紫丁香型等香精，也用作丁香酚和异丁香酚的变调剂。在食用香精及烟草精中亦常使用。
运输条件 常规运输
产品介绍

有丁香酚的香气，但比较弱。不溶于水，溶于乙醇。存在于香茅油、桂叶油等中。 用于配制依兰型、康乃馨型、紫丁香型等香精，也用作丁香酚和异丁香酚的变调剂。在食用香精及烟草精中亦常使用。

4-Allyl-1,2-dimethoxybenzene was identified and quantified using automated headspace solid-phase microextraction coupled with GC/MS/MS.
纯度 ≥98%

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HepG2 (196354 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

ampC Beta-lactamase AmpC (62480 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ppard Peroxisome proliferator-activated receptor delta (358 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nannizzia gypsea (2039 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Microsporum canis (872 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Fusarium solani (1274 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Klebsiella aerogenes (4963 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus mutans (2687 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Aspergillus flavus (8875 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Aspergillus niger (16508 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bacillus subtilis (32866 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cyberlindnera jadinii (900 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Saccharomyces cerevisiae (19171 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Corynebacterium ammoniagenes (75 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cutibacterium acnes (887 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Penicillium chrysogenum (1593 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Aspergillus fumigatus (16427 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Dermatophagoides pteronyssinus (58 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Candida albicans (78123 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trichophyton rubrum (3646 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Meloidogyne incognita (862 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trichoplusia ni (986 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Epidermophyton floccosum (561 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RAW264.7 (28094 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RBL-2H3 (1162 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Colletotrichum gloeosporioides (560 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Malassezia furfur (70 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Phytophthora cactorum (113 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rhizoctonia solani (2251 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trichophyton mentagrophytes (4846 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Alternaria humicola (1 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Dermatophagoides farinae (123 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Peritoneal macrophage (1554 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 488180305
EC号 202-223-0
分子类型 小分子
IIUPAC Name 1,2-dimethoxy-4-prop-2-enylbenzene
INCHI 1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChi Key ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Smiles COC1=C(C=C(C=C1)CC=C)OC
Isomeric SMILES COC1=C(C=C(C=C1)CC=C)OC
UN Number 2810
Packing Group I
分子量 178.23
Beilstein号 1910871
Reaxy-Rn 1910871
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910871&ln=

化学和物理性质

溶解性 不溶于水；水中溶解度：500毫克/升；可溶于乙醚、乙醇
密度 1.036
折光率 1.5388
闪点(℉) 230 °F
闪点(℃) 117℃
沸点 248~249°C
熔点 -4°C
分子量 178.230 g/mol
XLogP3 2.500
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 178.099 Da
单同位素质量Monoisotopic Mass 178.099 Da
拓扑极表面积Topological Polar Surface Area 18.500 Ų
重原子数Heavy Atom Count 13
形式电荷Formal Charge 0
复杂度Complexity 156.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

象形图 GHS07,   GHS08
信号词 警告
危险声明

H302: 吞食有害

H317: 可能引起皮肤过敏反应

H341: 怀疑引起遗传缺陷

H351: 怀疑引起遗传缺陷
预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P272: 被污染的工作服不允许离开工作场所

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P281: 根据需要使用个人防护设备。

P321: 特殊处理（请参阅此标签上的...）。

P330: 漱口

P302+P352: 如皮肤沾染：用水充分清洗。

P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P501: 将内容物/容器处理到。。。

P203: 使用前，获取、阅读并遵守所有安全说明。

P301+P317: 如果被吞咽：请寻求医疗帮助。

P318: 如果暴露或担心，请就医。
WGK Germany 1
RTECS CY2450000
Class 6.1
Merck Index 6073
个人防护装备 Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

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批号(Lot Number) 证书类型 货号
E2027101 分析证书 M101449
C2223565 分析证书 M101449
C2223582 分析证书 M101449
C2223593 分析证书 M101449
E2416388 分析证书 M101449
E2416387 分析证书 M101449
D2430020 分析证书 M101449
D2430022 分析证书 M101449
D1828225 分析证书 M101449
H2131076 分析证书 M101449
J2317024 分析证书 M101449

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引用文献

1. R L Smith,T B Adams,J Doull,V J Feron,J I Goodman,L J Marnett,P S Portoghese,W J Waddell,B M Wagner,A E Rogers,J Caldwell,I G Sipes.  (2002-06-18)  Safety assessment of allylalkoxybenzene derivatives used as flavouring substances - methyl eugenol and estragole..  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association,  40  ((7)): (851-870).  [PMID:12065208]
2. Seyed Mohammad Seyedi,Hossein Eshghi,Zeinab Jafari,Neda Attaran,Hamid Sadeghian,Mohammad Reza Saberi,Mohammad Mahdi Riazi.  (2009-01-23)  Design, synthesis and SAR studies of 4-allyoxyaniline amides as potent 15-lipoxygensae inhibitors..  Bioorganic & medicinal chemistry,  17  ((4)): (1614-1622).  [PMID:19157886]
3. Hamid Sadeghian, Neda Attaran, Zeinab Jafari, Mohammad Reza Saberi, Seyed Mohammad Seyedi, Hossein Eshghi, Mehdi Pordel, Mohammad Mahdi Riazi,.  (2009-03-03)  Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them..  Bioorganic & medicinal chemistry,  17  ((6)): ( 2327-2335 ).  [PMID:19251422]
4. Roger I Vargas,Todd E Shelly,Luc Leblanc,Jaime C Piñero.  (2010-09-14)  Recent advances in methyl eugenol and cue-lure technologies for fruit fly detection, monitoring, and control in Hawaii..  Vitamins and hormones,  83  (575-595).  [PMID:20831962]
5. Isao Tokushima,Watchreeporn Orankanok,Keng Hong Tan,Hajime Ono,Ritsuo Nishida.  (2010-10-23)  Accumulation of phenylpropanoid and sesquiterpenoid volatiles in male rectal pheromonal glands of the guava fruit fly, Bactrocera correcta..  Journal of chemical ecology,  36  ((12)): (1327-1334).  [PMID:20967492]
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9. Eric B Jang,Ashot Khrimian,Matthew S Siderhurst.  (2011-05-27)  Di- and tri-fluorinated analogs of methyl eugenol: attraction to and metabolism in the Oriental fruit fly, Bactrocera dorsalis (Hendel)..  Journal of chemical ecology,  37  ((6)): (553-564).  [PMID:21614534]
10. Katerina Bousova,Klaus Mittendorf,Hamide Senyuva.  (2011-09-17)  A solid-phase microextraction GC/MS/MS method for rapid quantitative analysis of food and beverages for the presence of legally restricted biologically active flavorings..  Journal of AOAC International,  94  ((4)): (1189-1199).  [PMID:21919351]
11. Stefanie Weinoehrl,Bjoern Feistel,Ivo Pischel,Brigitte Kopp,Veronika Butterweck.  (2011-09-29)  Comparative evaluation of two different Artemisia dracunculus L. cultivars for blood sugar lowering effects in rats..  Phytotherapy research : PTR,  26  ((4)): (625-629).  [PMID:21953838]
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13. Isabel Anna Maria Groh,Alexander Thomas Cartus,Sabrina Vallicotti,Julia Kajzar,Karl-Heinz Merz,Dieter Schrenk,Melanie Esselen.  (2012-02-04)  Genotoxic potential of methyleugenol and selected methyleugenol metabolites in cultured Chinese hamster V79 cells..  Food & function,  3  ((4)): (428-436).  [PMID:22302122]
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15. Chokri Messaoud,Abdelmonoem Laabidi,Mohamed Boussaid.  (2012-08-15)  Myrtus communis L. infusions: the effect of infusion time on phytochemical composition, antioxidant, and antimicrobial activities..  Journal of food science,  77  ((9)): (C941-C947).  [PMID:22888790]
16. Keng Hong Tan,Ritsuo Nishida.  (2012-09-12)  Methyl eugenol: its occurrence, distribution, and role in nature, especially in relation to insect behavior and pollination..  Journal of insect science (Online),  12  (56-56).  [PMID:22963669]
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18. Deepa Bhagat,Suman K Samanta,Santanu Bhattacharya.  (2013-02-19)  Efficient management of fruit pests by pheromone nanogels..  Scientific reports,  3  (1294-1294).  [PMID:23416455]
19. Eric B Jang,Amanda Ramsey,Lori A Carvalho.  (2013-06-22)  Performance of methyl eugenol + matrix + toxicant combinations under field conditions in Hawaii and California for trapping Bactrocera dorsalis (Diptera: Tephritidae)..  Journal of economic entomology,  106  ((2)): (727-734).  [PMID:23786060]
20. Wasma Alhusainy,Gary M Williams,Alan M Jeffrey,Michael J Iatropoulos,Sean Taylor,Timothy B Adams,Ivonne M C M Rietjens.  (2014-09-15)  The natural basil flavonoid nevadensin protects against a methyleugenol-induced marker of hepatocarcinogenicity in male F344 rat..  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association,  74  (28-34).  [PMID:25218219]
21. Junh-Hoon Kim,Woo-Young Jeon,Mee-Young Lee,Chang-Seob Seo,Hye-Sun Lim,Hyeun-Kyoo Shin.  (2014-10-18)  Inhibitory activity of Socheongryong‑tang and its constituent components against the production of RANTES, eotaxin, eotaxin‑3 and MMP‑9 from BEAS‑2B cells..  Molecular medicine reports,  10  ((6)): (3035-3046).  [PMID:25323950]
22. Ala A A Al-Subeihi,Wasma Alhusainy,Reiko Kiwamoto,Bert Spenkelink,Peter J van Bladeren,Ivonne M C M Rietjens,Ans Punt.  (2015-01-01)  Evaluation of the interindividual human variation in bioactivation of methyleugenol using physiologically based kinetic modeling and Monte Carlo simulations..  Toxicology and applied pharmacology,  283  ((2)): (117-126).  [PMID:25549870]
23. Megumi Iwasa,Satoshi Nakaya,Yusuke Maki,Shinsuke Marumoto,Atsushi Usami,Mitsuo Miyazawa.  (2015-07-17)  Identification of Aroma-active Compounds in Essential Oil from Uncaria Hook by Gas Chromatography- Mass Spectrometry and Gas Chromatography-Olfactometry..  Journal of oleo science,  64  ((8)): (825-833).  [PMID:26179003]
24. Abdalmajeed M Alajlouni,Amer J Al-Malahmeh,Farida Nur Isnaeni,Sebastiaan Wesseling,Jacques Vervoort,Ivonne M C M Rietjens.  (2016-11-05)  Level of Alkenylbenzenes in Parsley and Dill Based Teas and Associated Risk Assessment Using the Margin of Exposure Approach..  Journal of agricultural and food chemistry,  64  ((45)): (8640-8646).  [PMID:27771948]
25. Suparmi Suparmi,Diana Widiastuti,Sebastiaan Wesseling,Ivonne M C M Rietjens.  (2018-05-05)  Natural occurrence of genotoxic and carcinogenic alkenylbenzenes in Indonesian jamu and evaluation of consumer risks..  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association,  118  (53-67).  [PMID:29727721]
26. Jill E Kucab,Xueqing Zou,Sandro Morganella,Madeleine Joel,A Scott Nanda,Eszter Nagy,Celine Gomez,Andrea Degasperi,Rebecca Harris,Stephen P Jackson,Volker M Arlt,David H Phillips,Serena Nik-Zainal.  (2019-04-16)  A Compendium of Mutational Signatures of Environmental Agents..  Cell,  177  ((4)): (821-836).  [PMID:30982602]
27. Ji-Eun Lee,Seon-Mi Seo,Min-Jung Huh,Sung-Chan Lee,Il-Kwon Park.  (2020-07-28)  Reactive oxygen species mediated-antifungal activity of cinnamon bark (Cinnamomum verum) and lemongrass (Cymbopogon citratus) essential oils and their constituents against two phytopathogenic fungi..  Pesticide biochemistry and physiology,  168  (104644-104644).  [PMID:32711777]
28. Steven H Robison,Dana B Barr.  (2006-11-17)  Use of biomonitoring data to evaluate methyl eugenol exposure..  Environmental health perspectives,  114  ((11)): (1797-1801).  [PMID:17107870]
29. Aijaz Ahmad,Amber Khan,Luqman Ahmad Khan,Nikhat Manzoor.  (2010-07-17)  In vitro synergy of eugenol and methyleugenol with fluconazole against clinical Candida isolates..  Journal of medical microbiology,  59  ((Pt 10)): (1178-1184).  [PMID:20634332]
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