枯茗醛又称对异丙基苯甲醛、莳萝醛。天然存在于枯茗油、肉桂油、金合欢油、桉树油、苦橙油等精油中,无色至浅黄色的油状液体。高浓度时有强烈的枯茗气味,令人不快;低浓度时则带有香气。相对分子质量148.21,相对密度0.9755,沸点分别为235~236℃、131~135℃ (4.67×10³Pa) 和 103~104℃(1.33×10³Pa),闪点为93℃,折射率为1.5301。它不溶于水,但能溶于乙醇、乙醚及非挥发性油中,在空气中易氧化,并对铁离子敏感。
GIV公司枯茗醛产品规格瑞士GIV公司生产的枯茗醛,其产品规格为:含量不少于98%(色谱法),系指异构醛总量,其中对位异构体大于87%;d20值40.977~0.981,n20D 1.528~1.533,闪点为93℃。
急性毒性根据RIFM提供的资料,枯茗醛的急性毒性数据如下:口服LD₅₀值为1.4g/kg(大鼠),皮试LD₅₀值为2.8g/kg(兔子)。
用途枯茗醛可用于日化香精配方中,用量不超过1%。IFRA没有对此进行限制规定。它还用作合成兔耳草醛的原料,并用于化妆品、辛香料和浆果类香型香精。少量使用于紫罗兰、紫丁香、风信子、金合欢、铃兰、鸢尾等日用香精中,作为头香剂;极微量地应用于辛香、莳萝、药草、醋粟、蔬菜、调味品和浆果等食品香精中。由于价格低廉,也可用于掩盖不良气味的工业产品。
安全管理FEMA号2341,FDA 172.515,CoE 111,中国GB 2760—1996批准枯茗醛为允许使用的食品香料。其使用限量如下:软饮料3.1 mg/kg;冷饮3.2 mg/kg;糖果4.0 mg/kg;焙烤食品4.0 mg/kg;胶姆糖0.4~0.5 mg/kg;调味品3.0 mg/kg。
合成方法将对异丙基苯甲酰氯与六次甲基四胺的水溶液或醇溶液一起加热即可制得枯茗醛。在配有冷却夹套的搪玻璃反应釜中加入780千克不含噻吩的苯,500千克无水氯化铝,并加入216克对异丙基苯甲酰氯,再加入143.5克乌洛托品的醇溶液(乌洛托品1摩尔、酒精500毫升)。反应温度控制在78℃-93℃之间。该反应分两步进行:第一步为缩合反应生成对异丙基苯腙;第二步是在铁触媒作用下将对异丙基苯腙还原成枯茗醛,最终产品为淡黄色透明液体。
化学性质无色至淡黄色的油状液体,具有枯茗和桂皮的香气。沸点236℃,闪点93℃。溶于乙醇和乙醚,几乎不溶于水。遇铁变色。
天然存在于枯茗油(约30%)、肉桂油等多种精油中。
用途GB 2760—1996规定为允许使用的食用香料,主要用于香辛料和浆果类香精的合成。此外,它还用作香料制品、医药中间体以及醛类合成香科的主要成分。
中文名称 | 英文名称 | CAS号 | 化学式 | 分子量 |
---|---|---|---|---|
4'-异丙基苯乙酮 | 4-isopropylacetophenone | 645-13-6 | C11H14O | 162.232 |
4-异丙基甲苯 | 4-methylisopropylbenzene | 99-87-6 | C10H14 | 134.221 |
异丙苯 | Isopropylbenzene | 98-82-8 | C9H12 | 120.194 |
4-异丙基苯乙烯 | 4-isopropylstyrene | 2055-40-5 | C11H14 | 146.232 |
4-异丙基苯甲醇 | cuminol | 536-60-7 | C10H14O | 150.221 |
4-异丙基苄氯 | 4-isopropylbenzyl chloride | 2051-18-5 | C10H13Cl | 168.666 |
4-异丙基苄胺 | 4-isopropylbenzylamine | 4395-73-7 | C10H15N | 149.236 |
对异丙基溴苄 | 4-i-propylbenzyl bromide | 73789-86-3 | C10H13Br | 213.117 |
—— | 4-isopropyl-phenylcyclopropane | 27546-49-2 | C12H16 | 160.259 |
—— | 1-(4-isopropylphenyl)ethanol | 1475-10-1 | C11H16O | 164.247 |
百里香酚杂质 | 7-Hydroperoxy-p-cymol | 5699-45-6 | C10H14O2 | 166.22 |
—— | 2-(4-isopropylphenyl)-2-oxoacetic acid | 51208-83-4 | C11H12O3 | 192.214 |
4-异丙基苯甲醛肟 | 4-isopropylbenzaldehyde oxime | 13372-80-0 | C10H13NO | 163.219 |
—— | p-isopropylbenzal bromide | 86128-84-9 | C10H12Br2 | 292.013 |
4-异丙基苯乙酸 | (4-isopropylphenyl)acetic acid | 4476-28-2 | C11H14O2 | 178.231 |
—— | dicymyl ether | 146689-61-4 | C20H26O | 282.426 |
—— | 1-(4-isopropylphenyl)-N,N-dimethylmethanamine | 31507-78-5 | C12H19N | 177.29 |
—— | N-(4-isopropylbenzyl)formamide | 859441-41-1 | C11H15NO | 177.246 |
4-溴异丙苯 | 2-(4-bromophenyl)propane | 586-61-8 | C9H11Br | 199.09 |
中文名称 | 英文名称 | CAS号 | 化学式 | 分子量 |
---|---|---|---|---|
4-异丙基甲苯 | 4-methylisopropylbenzene | 99-87-6 | C10H14 | 134.221 |
1-乙基-4-异丙基苯 | 1-ethyl-4-isopropylbenzene | 4218-48-8 | C11H16 | 148.248 |
4-异丙基苯甲酸 | 4-Isopropylbenzoic acid | 536-66-3 | C10H12O2 | 164.204 |
4-异丙基苯甲酰胺 | 4-isopropylbenzamide | 619-76-1 | C10H13NO | 163.219 |
4-异丙基苯甲酰基氟化物 | p-isopropylbenzoyl fluoride | 87114-36-1 | C10H11FO | 166.195 |
4-异丙基苯甲酰氯 | p-isopropylbenzoyl chloride | 21900-62-9 | C10H11ClO | 182.65 |
4-乙酰苯甲醛 | p-formylacetophenone | 3457-45-2 | C9H8O2 | 148.161 |
1-(4-异丙基苯基)丙烷-1-酮 | p-isopropylpropiophenone | 27465-52-7 | C12H16O | 176.258 |
—— | (4-isopropylphenyl)(oxo)acetaldehyde | —— | C11H12O2 | 176.215 |
(4-异丙基苯基)(氧代)乙腈 | 4-(Propan-2-yl)benzene-1-carbonyl cyanide | 66582-15-8 | C11H11NO | 173.214 |
—— | Isopropylphenyl-vinyl-keton | 46206-64-8 | C12H14O | 174.243 |
—— | 2-hydroxy-1-(4-isopropyl-phenyl)-ethanone | 927803-08-5 | C11H14O2 | 178.231 |
4-(1-甲基乙基)-苯乙醛 | p- cuminic aldehyde | 4395-92-0 | C11H14O | 162.232 |
异丙苯 | Isopropylbenzene | 98-82-8 | C9H12 | 120.194 |
1-异丙基-4-丙基苯 | 1-isopropyl-4-propylbenzene | 22975-62-8 | C12H18 | 162.275 |
4-异丙基苯甲醇 | cuminol | 536-60-7 | C10H14O | 150.221 |
4-异丙基苯乙烯 | 4-isopropylstyrene | 2055-40-5 | C11H14 | 146.232 |
2-(4-异丁基苯基)丙烷 | 1-(4-isopropylphenyl)-2-methylpropan-1-one | 72846-62-9 | C13H18O | 190.285 |
—— | 1-isopropyl-4-prop-2-ynyl-benzene | 70090-66-3 | C12H14 | 158.243 |
4-异丙基苯甲酸甲酯 | methyl 4-isopropylbenzoate | 20185-55-1 | C11H14O2 | 178.231 |
3-(4-异丙基苯基)-3-氧代丙腈 | 3-(4-isopropylphenyl)-3-oxopropanenitrile | 199102-70-0 | C12H13NO | 187.241 |
4-异丙基苄氯 | 4-isopropylbenzyl chloride | 2051-18-5 | C10H13Cl | 168.666 |
4-异丙基苄胺 | 4-isopropylbenzylamine | 4395-73-7 | C10H15N | 149.236 |
—— | 4-isopropylbenzylideneamine | —— | C10H13N | 147.22 |
—— | 1,2-bis(4-isopropylphenyl)ethane | 5789-33-3 | C20H26 | 266.426 |
4-异丙基苯甲酰肼 | 4-isopropylbenzoic acid hydrazide | 5351-24-6 | C10H14N2O | 178.234 |
4-异丙基苯甲腈 | p-Cyanocumen | 13816-33-6 | C10H11N | 145.204 |
4-异丙基苯乙炔 | p-ethynylcumene | 23152-99-0 | C11H12 | 144.216 |
对异丙基溴苄 | 4-i-propylbenzyl bromide | 73789-86-3 | C10H13Br | 213.117 |
—— | 1-isobutyl-4-isopropylbenzene | 34349-70-7 | C13H20 | 176.302 |
4-异丙基二苯甲酮 | 4-isopropylbenzophenone | 18864-76-1 | C16H16O | 224.302 |
3-(4-异丙基苯基)丙腈 | 4-isopropylbenzenepropanenitrile | 268729-87-9 | C12H15N | 173.258 |
2-(4-异丙基苯基)丙腈 | 2-(4-isopropylphenyl)propanenitrile | 106112-20-3 | C12H15N | 173.258 |
1-丁-3-烯基-4-异丙基-苯 | 1-(but-3-enyl)-4-isopropylbenzene | 157581-06-1 | C13H18 | 174.286 |
3-(4-异丙基苯基)-1-丙醇 | 3-(4-isopropylphenyl)propanol | 79942-40-8 | C12H18O | 178.274 |
1-(3-溴-丙基)-4-异丙基-苯 | 1-Brom-3-(4-isopropyl-phenyl)-propan | 30134-48-6 | C12H17Br | 241.171 |
—— | 1-(4-isopropylphenyl)-3-phenylpropan-1-one | 1154332-33-8 | C18H20O | 252.356 |
—— | ethyl 4-isopropylbenzoate | 19024-50-1 | C12H16O2 | 192.258 |
2,2,2-三氟-1-(4-异丙基苯基)乙酮 | 2,2,2-trifluoro-1-(4-isopropylphenyl)ethanone | 124211-72-9 | C11H11F3O | 216.203 |
—— | 1-(1-methylethyl)-4-(prop-1-en-1-yl)benzene | 27319-06-8 | C12H16 | 160.259 |
—— | (E)-1-isopropyl-4-(prop-1-en-1-yl)benzene | —— | C12H16 | 160.259 |
—— | 3-(4-isopropylphenyl)-1-p-tolylpropan-1-one | 1327144-70-6 | C19H22O | 266.383 |
(1R)-1-(4-异丙基苯基)乙醇 | (R)-1-(4-isopropylphenyl)ethanol | 105364-42-9 | C11H16O | 164.247 |
—— | 1-(4-isopropylphenyl)ethanol | 1475-10-1 | C11H16O | 164.247 |
(1S)-1-(4-异丙基苯基)乙醇 | (S)-1-(4-isopropylphenyl)ethanol | 346585-61-3 | C11H16O | 164.247 |
—— | (E)-1-bromo-2-(4-isopropylphenyl)ethene | 642093-52-5 | C11H13Br | 225.128 |
—— | 1-(2-bromovinyl)-4-isopropylbenzene | —— | C11H13Br | 225.128 |
—— | 4,4'-diisopropyl-deoxybenzoin | 79135-61-8 | C20H24O | 280.41 |
1-异丙基-4-丙二烯基苯 | p-isopropylphenylallene | 200341-09-9 | C12H14 | 158.243 |
4-异丙基水杨醛 | 4-isopropylsalicylaldehyde | 536-32-3 | C10H12O2 | 164.204 |
(E)-1-(4-异丙基苯基)-N-甲基甲亚胺 | Methyl-(4-isopropyl-benzyliden)-amin | 17972-10-0 | C11H15N | 161.247 |
4-异丙基苯乙酮 | 1-(4-isopropylphenyl)propan-2-one | 7306-39-0 | C12H16O | 176.258 |
(4-异丙基-苄基)-甲胺 | 1-(4-isopropylphenyl)-N-methylmethanamine | 73441-51-7 | C11H17N | 163.263 |
—— | PAL-334 | 32560-62-6 | C12H19N | 177.29 |
—— | 3-chloro-4-isopropylbenzaldehyde | 40891-34-7 | C10H11ClO | 182.65 |
(4-异丙基苄基)-肼 | (4-Isopropyl-benzyl)-hydrazin | 51860-03-8 | C10H16N2 | 164.25 |
2,4-二(异丙基)苯甲醛 | 2,4-diisopropyl-benzaldehyde | 68459-95-0 | C13H18O | 190.285 |
4-异丙基苯甲醛肟 | 4-isopropylbenzaldehyde oxime | 13372-80-0 | C10H13NO | 163.219 |
(E)-N-羟基-1-(4-异丙基苯基)甲亚胺 | (E)-4-isopropylbenzaldehyde oxime | 3717-17-7 | C10H13NO | 163.219 |
(Z)-N-羟基-1-(4-异丙基苯基)甲亚胺 | (Z)-4-Isopropylbenzaldehyde oxime | 3717-18-8 | C10H13NO | 163.219 |
—— | 1-(4-isopropylphenyl)pentane-1,4-dione | 1033280-93-1 | C14H18O2 | 218.296 |
对异丙基环丙基甲基酮 | Cyclopropyl-p-isopropylphenylketon | 6952-91-6 | C13H16O | 188.269 |
1-异丙基-4-(2-甲基-1-丙烯-1-基)苯 | 1-isopropyl-4-(2-methylprop-1-en-1-yl)benzene | 105737-90-4 | C13H18 | 174.286 |
—— | 3-hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one | 85290-24-0 | C13H18O2 | 206.285 |
—— | p-isopropylbenzal bromide | 86128-84-9 | C10H12Br2 | 292.013 |
兔耳草醛 | cyclamenaldehyde | 103-95-7 | C13H18O | 190.285 |
4-异丙基肉桂醛 | p-isopropylcinnamaldehyde | 6975-24-2 | C12H14O | 174.243 |
—— | 3-bromo-4-isopropylbenzylaldehyde | 461425-83-2 | C10H11BrO | 227.101 |
4-(4-异丙基苯基)-2-丁酮 | 4-(4-Isopropyl-phenyl)-butan-2-on | 10528-64-0 | C13H18O | 190.285 |
—— | (E)-3-(p-isopropylphenyl)prop-2-en-1-ol | 274907-08-3 | C12H16O | 176.258 |
1-异丙基-4-(2-苯基乙烯基)苯 | (E)-1-isopropyl-4-styrylbenzene | 40231-48-9 | C17H18 | 222.33 |
—— | (E)-1,2-bis(4-isopropylphenyl)ethene | 37163-82-9 | C20H24 | 264.411 |
—— | 4-Isopropyl-stilben | 20884-07-5 | C17H18 | 222.33 |
—— | 4-isopropylbenzyl 4-isopropylbenzoate | —— | C20H24O2 | 296.409 |
—— | 1-(4'-isopropylphenyl)-4,4,4-trifluoro-1-butanone | —— | C13H15F3O | 244.257 |
—— | benzyl 4-isopropylbenzoate | —— | C17H18O2 | 254.329 |
3-(对枯烯基)-2-甲基丙醇 | 3-(4-isopropylphenyl)-2-methylpropan-1-ol | 4756-19-8 | C13H20O | 192.301 |
1,1-二溴-2-(4-异丙基苯基)乙烯 | 1,1-dibromo-2-(4-isopropylphenyl)ethene | 142521-08-2 | C11H12Br2 | 304.024 |
—— | 1,2-bis(4-isopropylphenyl)ethane-1,2-dione | 79135-58-3 | C20H22O2 | 294.393 |
—— | 1-isopropyl-4-(3-methylbut-1-en-1-yl)benzene | —— | C14H20 | 188.313 |
—— | N-(4-isopropylbenzyl)formamide | 859441-41-1 | C11H15NO | 177.246 |
3-(4-异丙苯基)丙酸 | 3-(p-isopropylphenyl)propionic acid | 58420-21-6 | C12H16O2 | 192.258 |
双(4-异丙基苄基)胺 | bis(4-isopropylbenzyl)amine | 202849-30-7 | C20H27N | 281.441 |
苄基-(4-异丙基苄基)胺 | N-benzyl-1-(4-isopropylphenyl)methanamine | 346700-52-5 | C17H21N | 239.36 |