CAS: 80-26-2; 2-(4-Methylcyclohex-3-En-1-yl)Propan-2-Yl Acetate

• 英文名称2-(4-Methylcyclohex-3-En-1-yl)Propan-2-Yl Acetate
• 中文名称(±)-α-乙酸松油酯
• IUPAC名称2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
• 其它别名Terpinyl Acetate; Alpha-Terpinyl Acetate; Terpineol, Acetate; P-Menth-1-En-8-Yl Acetate; P-Menth-1-En-8-Ol, Acetate; Alpha-Terpineol Acetate; (+/-)-Alpha-Terpinyl Acetate; Alpha-Terpineol, Acetate; .Alpha.-Terpinyl Acetate; 2-(4-Methylcyclohex-3-
• CAS编号80-26-2
• MFCD编号:MFCD00037155
• EINECS号:201-265-7
• 分子式:C12H20O2
• 分子量:196.29
• 产品CID: 1797664
• 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: IGODOXYLBBXFDW-UHFFFAOYNA-N
• InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点220 °C
• 沸点239.9±9.0 °C at 760 mmHg
• 闪点83.0±17.1 °C
• 密度1.0±0.1 g/cm3
• PSA:26.3
• LogP:3.67
• 折射率1.467
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性DMSO: 100 mg/mL (509.45 Mm; Need Ultrasonic)
• 敏感性1. 存在于薰衣草、豆蔻、玉树、苦橙等精油中，通常为乙酸α-松油酯和乙酸早松油酯的混合物，以乙酸α-松油酯为主。2. 存在于烤烟烟叶中。
• 外观形态无色至几乎无色透明液体
• 储存条件储存在 -20°C
• 产品应用乙酸松油酯(80-26-2)的用途:GB 2760―1996规定为允许使用的食用香料.主要用以配制桃,梅,杏,树莓,樱桃,圆柚,中至,鼠尾草,小豆蔻,香辛料和柑橘类等香精.由于价格较低,常用于薰衣草,古龙,香薇,松针,辛香,柑橘香等型香精中,可用于皂用香精.也可用于食用香精,如浆果,白柠檬,橙子,樱桃,桃子,梅子,杏子,辛香,肉香等.在口香糖中使用量为14~260mg/kg;肉类中1.7~40mg/kg;调味品中15mg/kg;烘烤食品中15mg/kg;糖果中6.3mg/kg;软饮料中3.5mg/kg;冷饮中3.2mg/kg.亦用于小豆蔻,百里香及其他调味精油中以增强辛香香味.
• 性质描述乙酸松油酯(80-26-2)的相关性质如下:1.无色油状液体.呈甜的清新香柠檬和薰衣草的混合香气和醋栗香味,有草药味.沸点220°C,闪点85°C,熔点－50°C.溶于乙醇(1ml溶于5mL70%乙醇),丙二醇,大多数非挥发性油和矿物油,微溶于甘油,不溶于水.2.天然品存在于玉树油,小豆蔻油,苦橙油和薰衣草油,黑加仑,胡椒等中.3.大白鼠经口LD504160mg/kg.

MSDS等安全信息

• GHS象形图
• GHS符号GHS09;
  注释: Environment
• 危险类别水生慢性毒性 类别2
  水生慢性毒性 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
  H412 |对水生生物有害并具有长期持续影响.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P273-P391-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-55-5 = 80-26-2
  反应条件:1.1 Catalysts: Ceric Sulfate; 3 H,25 °C; Cooled1.2 Reagents: Sodium Carbonate Solvents: Water; Basified
  标题:Study On The Synthesis Of Terpinyl Acetate Catalyzed By Cerium Sulfate
  作者:Zhao,Qian-Rong; Et Al
  参考文献:Yingyong Huagong 日期:2005 卷标:34(12) 页码:731-733]
  
  98-55-5 = 80-26-2
  反应条件:1.1 Solvents: Water; 9.9 S,5 Mpa,200 °C
  标题:A Highly Selective,High-Speed,And Hydrolysis-Free O-Acylation In Subcritical Water In The Absence Of A Catalyst
  作者:Sato,Masahiro; Et Al
  参考文献:Angewandte Chemie 日期:2007 卷标:46(33) 页码:6284-6288]
  
  108-22-5 + 98-55-5 = 80-26-2
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid; 0 °C
  标题:Reaction Of Levoglucosenone With (+/-)-α-Terpineol And Its Acetate
  作者:Galimova,Yu. S.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2014 卷标:50(12) 页码:1848-1850]
  
  39864-10-3 = 80-26-2 [标题:Reaction Conditions
  标题:Solvolytic Displacement Of Alkyl Halides By Metal Salts. Preparative Procedures For Allyl-,Benzyl-,And Tertiary Alkyloxy Derivatives Using The Zinc Salts
  作者:Gurudutt,K. N.; Et Al
  参考文献:Tetrahedron 日期:1982 卷标:38(12) 页码:1843-6]
  
  98-55-5 = 80-26-2
  反应条件:1.1 Solvents: Acetonitrile; 8 H,Reflux
  标题:Efficient Chemoselective Liquid Phase Acylation Of Amines,Alcohols And Bifunctional Compounds Over Zsm-35
  作者:Srivastava,R.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2004 卷标:(4) 页码:888-891]
  
  8000-41-7 = 80-26-2
  反应条件:1.1 Catalysts: Niobium Pentoxide,Sulfate,Tin Oxide (Sno2); 3 H,50 °C
  标题:Preparation Of Solid Superacid So42-/sno2-Nb2O5 By A New Technology And Its Application To Catalyze The Esterification Of Terpineol
  作者:Huang,Jian-Tuan; Et Al
  参考文献:Huaxue Yanjiu Yu Yingyong 日期:2012 卷标:24(6) 页码:940-947]
  
  8000-41-7 = 80-26-2
  反应条件:1.1 Reagents: Perchloric Acid,Silica; 5 Min,Rt
  标题:Structure-Activity Relationships Of Monoterpenes And Acetyl Derivatives Against Aedes Aegypti (Diptera: Culicidae) Larvae
  作者:Pandey,Satish K.; Et Al
  参考文献:Pest Management Science 日期:2013 卷标:69(11) 页码:1235-1238]
  
  80-56-8 = 80-26-2
  反应条件:1.1 Solvents: Dichloromethane,Water; 4 H,40 °C
  标题:Heterogeneous Zeolite-Based Catalyst For Esterification Of α-Pinene To α-Terpinyl Acetate
  作者:Wijayati,Nanik; Et Al
  参考文献:Oriental Journal Of Chemistry 日期:2019 卷标:35(1) 页码:399-403]
  
  80-56-8 = 80-26-2
  反应条件:1.1 Catalysts: Alumina,Silica; 4 H,20 °C1.2 24 H,20 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Neutralized
  标题:Study Of One-Step Synthesis Of Terpinyl Acetate With Hβ Zeolite
  作者:Fan,Guang; Et Al
  参考文献:Fuzhou Daxue Xuebao 日期:2005 卷标:33(5) 页码:679-684]
  
  80-56-8 = 80-26-2
  反应条件:1.1 Reagents: Chloroacetic Acid Catalysts: 1-Methyl-3-(3-Sulfopropyl)Imidazolium Dihydrogen Phosphate; Rt; 10 H,40 °C
  标题:Synthesis Of Terpinyl Acetate From α-Pinene Catalyzed By Acidic Ionic Liquid
  作者:Ji,Kaihui; Et Al
  参考文献:Qingdao Keji Daxue Xuebao 日期:2008 卷标:29(6) 页码:480-484]
  
  8000-41-7 = 80-26-2
  反应条件:1.1 Catalysts: Carboxyl Esterase Solvents: 2,2,4-Trimethylpentane; 40 °C
  标题:Whole-Cell Biocatalytic Synthesis Of Cinnamyl Acetate With A Novel Esterase From The Dna Library Of Acinetobacter Hemolyticus
  作者:Dong,Hao; Et Al
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2017 卷标:65(10) 页码:2120-2128]
  
  138-86-3 = 80-26-2
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid
  标题:Applications Of Lemon Oil. 2. Chromatographic Study Of The Reaction Of Limonene With Acetic Acid Catalyzed By P-Toluenesulfonic Acid
  作者:Ubillus,Fabiola; Et Al
  参考文献:Boletin De La Sociedad Quimica Del Peru 日期:1990 卷标:56(2) 页码:71-7]
  
  98-55-5 = 80-26-2
  反应条件:1.1 9.9 S,5 Mpa,200 °C
  标题:Environmental Benign Application To Organic Syntheses Using High-Pressure,High-Temperature Water Microfluidic System
  作者:Matsushima,Keiichiro; Et Al
  参考文献:Hokkaidoritsu Kogyo Shikenjo Hokoku 日期:2009 卷标:308 页码:23-31]
  
  18172-67-3 = 80-26-2
  反应条件:1.1 Reagents: Silica,Ceric Ammonium Nitrate (Silica Gel Adsorbed) Solvents: Hexane
  标题:Reaction Of 2(10)-Pinene With Can(Meoh)/sio2 [cerium(Iv) Ammonium Nitrate And Methanol Adsorbed On Silica Gel] Reagent
  作者:Kurata,Takeo; Et Al
  参考文献:Yukagaku 日期:1989 卷标:38(7) 页码:553-7]
  
  108-22-5 + 98-55-5 = 80-26-2
  反应条件:1.1 Reagents: Cyclohexanone,O-Acetyloxime Catalysts: Bis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl]Bis(Tetrahydrofu...
  标题:New Acylation Method Using Oxime Esters In The Presence Of Lanthanide Complexes
  作者:Tashiro,D.; Et Al
  参考文献:Kidorui 日期:1997 卷标:30 页码:296-297]
  
  108-22-5 + 98-55-5 = 80-26-2
  反应条件:1.1 Reagents: Cyclohexanone,O-Acetyloxime Catalysts: Bis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl]Bis(Tetrahydrofu... Solvents: Toluene1.2 Reagents: Water Solvents: Diisopropyl Ether
  标题:An Efficient Acylation Of Tertiary Alcohols With Isopropenyl Acetate Mediated By An Oxime Ester And Cp*2Sm(Thf)2
  作者:Tashiro,Daisuke; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1997 卷标:62(23) 页码:8141-8144]
  
  98-55-5 = 80-26-2
  反应条件:1.1 Catalysts: Ferric Sulfate Solvents: Acetic Acid; 3 H,338 K
  标题:Fe(So4)3-Catalyzed Synthesis Of Terpenic Alcohols Esters: A Simple And Bifunctional Reusable Solid Catalyst
  作者:Da Silva,Marcio J.; Et Al
  参考文献:Chemistryselect 日期:2018 卷标:3(21) 页码:5742-5748]
  
  98-55-5 = 80-26-2
  反应条件:1.1 Catalysts: Triacylglycerol Lipase Solvents: Carbon Dioxide,Heptane; 1.5 H,10 Mpa,50 °C
  标题:Lipase-Catalyzed Production Of A Bioactive Terpene Ester In Supercritical Carbon Dioxide
  作者:Liu,Kuan-Ju; Et Al
  参考文献:Journal Of Biotechnology 日期:2010 卷标:146(4) 页码:215-220]
  
  8000-41-7 = 80-26-2
  反应条件:1.1 Catalysts: Nitric Acid,Polyaniline; Rt -> 60 °C; 8 H,60 °C
  标题:Preparation And Esterification Properties Of Polyaniline Nanofibers
  作者:Zheng,Xiao-Ying; Et Al
  参考文献:Kunming Yejin Gaodeng Zhuanke Xuexiao Xuebao 日期:2011 卷标:27(1) 页码:27-30]
  
  8000-41-7 = 80-26-2
  反应条件:1.1 Catalysts: Tin Tetrachloride; 5 H,25 - 30 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Basified
  标题:Synthesis Of Terpinyl Acetate Catalyzed By Sncl4.5H2O
  作者:Zhao,Qian-Rong; Et Al
  参考文献:Hecheng Huaxue 日期:2006 卷标:14(3) 页码:290-292]
  
  = 80-26-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate; 48 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt1.3 Reagents: Silica Solvents: Ethyl Acetate; 12 H,Rt
  标题:M-C2B10H11Hgcl/agotf-Catalyzed Reaction For Reductive Deoxygenation
  作者:Yamasaki,Naoto; Et Al
  参考文献:Synlett 日期:2018 卷标:29(2) 页码:169-175]
  
  1126-35-8 = 80-26-2 [标题:Reaction Conditions
  标题:Solvolytic Displacement Of Alkyl Halides By Metal Salts. Preparative Procedures For Allyl-,Benzyl-,And Tertiary Alkyloxy Derivatives Using The Zinc Salts
  作者:Gurudutt,K. N.; Et Al
  参考文献:Tetrahedron 日期:1982 卷标:38(12) 页码:1843-6]
  
  39864-10-3 + 557-34-6 = 80-26-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Chloroform
  标题:Sonochemical Acetylation Reactions Of Tertiary Alkyl Halides
  作者:Jayasree,J.; Et Al
  参考文献:Synthetic Communications 日期:1996 卷标:26(6) 页码:1103-7]
  
  = 80-26-2
  反应条件:1.1 Reagents: Silica Solvents: Ethyl Acetate; 24 H,Rt
  标题:M-C2B10H11Hgcl/agotf-Catalyzed Reaction For Reductive Deoxygenation
  作者:Yamasaki,Naoto; Et Al
  参考文献:Synlett 日期:2018 卷标:29(2) 页码:169-175]
  
  = 80-26-2
  反应条件:1.1 Catalysts: Palladium; 2 H,Rt
  标题:Valorization Of Monoterpene Hydrocarbon Fraction Of Essential Oil To High-Value Oxygenated Monoterpenoids By Solvent-Free Catalytic Modification Using 1%pd-β-Zeolite
  作者:Gupta,Madhuri; Et Al
  参考文献:Waste And Biomass Valorization 日期:2023 卷标:14(2) 页码:619-630]
  
  98-55-5 = 80-26-2
  反应条件:1.1 Catalysts: Triacylglycerol Lipase Solvents: Carbon Dioxide,Heptane; 1.5 H,10 Mpa,50 °C
  标题:Lipase-Catalyzed Production Of A Bioactive Terpene Ester In Supercritical Carbon Dioxide
  作者:Liu,Kuan-Ju; Et Al
  参考文献:Journal Of Biotechnology 日期:2010 卷标:146(4) 页码:215-220

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 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。
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• ➥ 象形图和危险代码
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