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化合物简介
Calone or methylbenzodioxepinone, trade-named Calone 1951, also known in the industry as \"watermelon ketone\", was discovered by Pfizer in 1966. It is used to give the olfactory impression of a fresh seashore through the marine and ozone nuances. Calone is similar in structure of certain alicyclic C11-hydrocarbons like ectocarpene, excreted by some species of brown algae as pheromones.
基本信息
CAS:28940-11-6
中文别名:7-甲基-1,5-苯并二氧杂环庚烷-3-酮;7-甲基-3,4-二氢-2H-1,5-苯并二氧杂卓-3-酮;7-甲基-2H-1,5-苯并二氧麻黄-3(4H)-酮;7-7-甲基3,4-二氢-2H-1,5-苯并二氧麻黄3-酮;7-甲基-3,4-二氢-2H-1,5-苯并二氧环丙-3-酮;甲基苯并二氧杂蒎酮;
英文别名:7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one;7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one;Water-melone ketone;7-Methyl-1,5-benzodioxepan-3-one;METHYL BENZODIOXEPINONE;7-methyl-2H-1,5-benzodioxepin-3(4H)-one;Calone;Methylbenzodioxepinone;Calone 1951;watermelone ketone;7-Methylbenzo[b][1,4]dioxepin-3-one;Oceanone;Watermelonketone;
分子式:C10H10O3
分子量:178.185
精确质量:178.063
Psa:35.53
Logp:1.3353
中文别名:7-甲基-1,5-苯并二氧杂环庚烷-3-酮;7-甲基-3,4-二氢-2H-1,5-苯并二氧杂卓-3-酮;7-甲基-2H-1,5-苯并二氧麻黄-3(4H)-酮;7-7-甲基3,4-二氢-2H-1,5-苯并二氧麻黄3-酮;7-甲基-3,4-二氢-2H-1,5-苯并二氧环丙-3-酮;甲基苯并二氧杂蒎酮;
英文别名:7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one;7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one;Water-melone ketone;7-Methyl-1,5-benzodioxepan-3-one;METHYL BENZODIOXEPINONE;7-methyl-2H-1,5-benzodioxepin-3(4H)-one;Calone;Methylbenzodioxepinone;Calone 1951;watermelone ketone;7-Methylbenzo[b][1,4]dioxepin-3-one;Oceanone;Watermelonketone;
分子式:C10H10O3
分子量:178.185
精确质量:178.063
Psa:35.53
Logp:1.3353
编号系统
EINECS号:249-320-4
物化性质
密度:1.196 g/cm3
沸点:305.2ºC at 760 mmHg
闪点:129.3ºC
折射率:1.538
蒸汽压:0.000831mmHg at 25°C
沸点:305.2ºC at 760 mmHg
闪点:129.3ºC
折射率:1.538
蒸汽压:0.000831mmHg at 25°C
安全信息
海关编码:2932999099
生产方法及用途
用途
海洋香元素,顶级香水中最精炼的海洋香味成分。
海洋香元素,顶级香水中最精炼的海洋香味成分。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
