CAS: 97-45-0; 2-Methyl-5-(Prop-1-En-2-yl)Cyclohex-2-En-1-Yl Propionate

• 英文名称2-Methyl-5-(Prop-1-En-2-yl)Cyclohex-2-En-1-Yl Propionate
• 中文名称丙酸香芹酯
• IUPAC名称2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl propionate
• 其它别名2-Cyclohexen-1-Ol,2-Methyl-5-(1-Methylethenyl)-,Propanoate; 2-Methyl-5-(1-Methylethenyl)-2-Cyclohexen-1-Opropanoate; 2-Methyl-5-(1-Methylethenyl)-2-Cyclohexen-1-Opropionate; 5-Isopropenyl-2-Methyl-2-Cyclohexen-1-Yl Propionate; L-P-Mentha-6,8(9)-Dien-2-Yl Propionate; L-P-Mentha-6,8(9)-Dien-2-Ylpropionate; P-Mentha-1(6),8-Dien-2-Yl Propionate; (-)-Carvyl Propionate, , Mixture Of I Somers
• CAS编号97-45-0
• MFCD编号:MFCD00001560
• EINECS号:202-583-9
• 分子式:C13H20O2分子量:208.3
• 产品CID: 2021536
• 产品分类香精与香料 → 合成香料 → 羧酸及酯类香料

• 相似结构搜索
• InChIKey: DFVXNZOMAOGTBL-UHFFFAOYNA-N
• InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数4.0

物理性质

• 沸点78-80 °C0.2 mm Hg(文献)
• 闪点226 °F
• 密度0.952 g/mL at 25 °C(文献)
• PSA:26.3
• LogP:4.05
• 折射率n 20/D 1.474(文献)
• 蒸汽压0.00247 mmHg at 25 °C
• 溶解性insoluble in water; soluble in alcohol and most fixed oils
• 外观形态澄清极微黄色液体
• 储存条件Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• 产品应用丙酸香芹酯(97-45-0)用途:在日化香精中作为修饰剂.在食用香精中作为薄荷,柑橘类,留兰香等起辅助,协调作用.
• 性质描述丙酸香芹酯(97-45-0)性状:无色油状液体.60多年前已广泛用于各类香精的配方中.带薄荷样味道,但是有果香,浓甜.沸点239°C/0.1MPa,78～80°C/26.6Pa; n20D1.4740; d 0.952; 燃点:226°F(107°C);α20D -107.0.天然品存在于肉豆蔻,小豆蔻,迷迭香,芜荽等中.

MSDS等安全信息

• 危险描述Not Classified
  Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
• 安全声明24/25
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 99-48-9 = 97-45-0
  反应条件:1.1 Catalysts: Pyridine Solvents: Dichloromethane
  标题:Using Classic And Quantum Parameters To Determine Monoterpenoids' Insecticidal Quantitative Structure-Activity Relationships
  作者:Grodnitzky,Justin A.; Coats,Joel R.
  参考文献:Acs Symposium Series 日期:2002 卷标:800 页码:238-250

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2909110000-乙醚
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管