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异丁香油酚

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异丁香油酚[1]
IUPAC名
2-Methoxy-4-(prop-1-en-1-yl)phenol

(trans isomer shown)

别名 4-Hydroxy-3-methoxy-1-propenylbenzene
2-Methoxy-4-propenylphenol
4-Propenylguaiacol
识别
CAS号 97-54-1  checkY
PubChem 7338
ChemSpider 21106129 (trans)
SMILES
 
  • C/C=C/C1=CC(=C(C=C1)O)OC
InChI
 
  • 1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey BJIOGJUNALELMI-ONEGZZNKBO
EINECS 202-590-7
ChEBI 18224
KEGG C10469
性质
化学式 C10H12O2
摩尔质量 164.2 g·mol−1
外观 Oily liquid
密度 1.080
熔点 -10 °C(263 K)
沸点 266 °C(539 K)
溶解性 810 mg/L [2]
溶解性 Soluble in most organic solvents[3]
蒸氣壓 0.0135 mmHg[4]
药理学
ATCvet代码 QN01AX94QN01
若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。

异丁香油酚(英語:Isoeugenol),别名异丁子香酚异丁香酚,是一种有机化合物,化学式为C10H12O2,与丁香油酚区别在于碳碳双键位置不同,存在于依兰等植物提炼的精油中。

它在2023年被列入IARC第2B类致癌物质。[5]

参考文献

  1. ^ The Merck Index, 12th edition, Merck & Co, Whitehouse Station, New Jersey, USA, 1996.
  2. ^ HERA; HERA Risk Assessment of Isoeugenol (Draft). Human and Environmental Risk Assessment on ingredients of Household Cleaning Products. Isoeugenol (CAS 97-54-1). Available from, as of June 23, 2012: http://www.heraproject.com/
  3. ^ Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 710
  4. ^ NIST; NIST Chemistry WebBook. Phenol, 2-methoxy-4-(1-propenyl)- (97-54-1). NIST Standard Reference Database No. 69, June 2005 Release. Washington, DC: US Sec Commerce. Available from, as of June 25, 2012: http://webbook.nist.gov
  5. ^ IARC MONOGRAPHS ON THE IDENTIFICATION OF CARCINOGENIC HAZARDS TO HUMANS. WHO. 2023-12-01 [2023-12-06]. (原始内容存档于2021-04-05). 

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