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3,5-二乙基-1,2,4-三硫杂环戊烷 | 54644-28-9

中文名称
3,5-二乙基-1,2,4-三硫杂环戊烷
中文别名
——
英文名称
cis-3,5-diethyl-1,2,4-trithiolane
英文别名
3,5-diethyl-1,2,4-trithiolane
3,5-二乙基-1,2,4-三硫杂环戊烷化学式
CAS
54644-28-9
化学式
C6H12S3
mdl
——
分子量
180.359
InChiKey
WQXXXHMEBYGSBG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • LogP:
    3.38
  • 物理描述:
    Clear, yellow liquid; Powerful, sulfureous aroma
  • 溶解度:
    Soluble in heptane and triacetin; insoluble in water
  • 密度:
    1.147-1.160
  • 折光率:
    1.558-1.570
  • 保留指数:
    1322;1285.8;1292.9;1307

计算性质

  • 辛醇/水分配系数(LogP):
    3.4
  • 重原子数:
    9
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    75.9
  • 氢给体数:
    0
  • 氢受体数:
    3

SDS

SDS:bafaf9bf6d3f649ef4449f9f847e1404
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制备方法与用途

食品添加剂最大允许使用量及最大允许残留量标准

添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg)
3,5-二乙基-1,2,4-三硫杂环戊烷 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量

注:此表格仅展示了一个实例,实际标准中可能包含更多种类的食品添加剂及其相关信息。

反应信息

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文献信息

  • BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
    申请人:SENOMYX, INC.
    公开号:US20160376263A1
    公开(公告)日:2016-12-29
    The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.
    本发明涵盖已知用于改变苦味感知的化合物和组合物,以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种:冷却剂;无活性药物成分;活性药用成分;食品添加剂或食品;调味剂或调味增强剂;食品或饮料产品;苦味化合物;甜味剂;苦味剂;酸味调味剂;咸味调味剂;鲜味调味剂;植物或动物产品;已知用于宠物护理产品中的化合物;已知用于个人护理产品中的化合物;已知用于家用产品中的化合物;制药制剂;局部制剂;大麻衍生或与大麻相关的产品;已知用于口腔护理产品中的化合物;饮料;香味、香水或除臭剂;已知用于消费品中的化合物;硅化合物;磨料;表面活性剂;发热剂;吸烟物品;脂肪、油脂或乳化剂;和/或益生菌或补充剂。
  • COMPOUNDS USEFUL AS MODULATORS OF TRPM8
    申请人:Senomyx, Inc.
    公开号:US20170096418A1
    公开(公告)日:2017-04-06
    The present disclosure relates to compounds which are useful as cooling sensation compounds.
    本公开涉及作为冷感化合物有用的化合物。
  • SALTY TASTE ENHANCER
    申请人:Kaneka Corporation
    公开号:EP2801264A1
    公开(公告)日:2014-11-12
    A salty taste enhancer of the present invention includes a finely ground plant tissue product in which at least a part of cell walls are destroyed and which passes through a size of 140-mesh, and a flavor component including a Maillard reaction product and a sulfur-containing compound. In particular, when the finely ground plant tissue product includes a sterol or a sterol fatty acid ester shown by the following general formula (1), an excellent salty taste enhancing effect is exhibited, and even if an amount of a salt used is reduced, the impact of a first taste and the retention of an aftertaste can be enhanced, and the amount of the salt used can be reduced without impairing a taste of food and drink. (Provided that in the formula (1), R1 represents a hydrogen atom or a fatty acid residue, and R2 represents a hydrocarbon group including no double bond.)
    本发明的咸味增强剂包括至少部分细胞壁被破坏并通过 140 目细磨的植物组织产品,以及包括马氏反应产物和含硫化合物的风味成分。特别是,当磨细的植物组织产品包括以下通式(1)所示的固醇或固醇脂肪酸酯时,可表现出极佳的咸味增强效果,即使减少盐的用量,也能增强初味的冲击力和余味的保持力,并且可以减少盐的用量而不影响食品和饮料的味道。(前提是在式 (1) 中,R1 代表氢原子或脂肪酸残基,R2 代表不含双键的烃基)。
  • Compounds useful as modulators of TRPM8
    申请人:Senomyx, Inc.
    公开号:US10392371B2
    公开(公告)日:2019-08-27
    Provided herein are compounds which are useful as cooling sensation compounds.
    本文提供的化合物可用作冷感化合物。
  • Antiperspirant and deodorant compositions
    申请人:The Procter & Gamble Company
    公开号:US10568825B2
    公开(公告)日:2020-02-25
    The present application relates to antiperspirant compositions comprising perfumes and sulfur-based perfume raw materials, and methods for making and using the antiperspirant compositions.
    本申请涉及包含香水和硫基香水原料的止汗剂组合物,以及制造和使用止汗剂组合物的方法。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

3,5-二甲基-1,2,4-三硫环戊烷 3,5-二异丁基-1,2,4-三硫环戊烷 3,5-二乙基-1,2,4-三硫杂环戊烷 3,5-二(1-甲基乙基)-1,2,4-三硫杂戊环 3,3,5,5-四甲基-1,2,4-三硫杂戊环 1,2,4-三硫杂戊环 1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro<3.1.3.2>undecan-2,8-dithion 4-methyl-1,2,3-trithiolane Tetrafluor-1,2,3-trithiolan N,N,N',N'-tetra-tert-butyl-1,2,4-trithiolane-3,3,5,5-tetracarboxamide 3-Methyl-1,2,4-trithiolane 3,5-Ditert-butyl-1,2,4-trithiolane spirocyclohexyl-1,2,4-trithiolane 4-S-oxide spirocyclohexyl-1,2,4-trithiolane 1-S-oxide cis-3,5-Dimethyl-1,2,4-trithiolan trans-3,5-Diethyl-1,2,4-trithiolane cis-3,5-Diethyl-1,2,4-trithiolan 2,2,8,8-tetrachloro-1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro[3.1.3.2]undecane 3,3,5,5-bis(pentamethylene)-1,2,4-trithiolane trans-3,5-Dimethyl-1,2,4-trithiolan (3S,5S)-3,5-Bis(2-methylpropyl)-1,2,4-trithiolane (3R,5S)-3,5-Bis(2-methylpropyl)-1,2,4-trithiolane 3,5-Dibutyl-1,2,4-trithiolane 1,8-Dimethyl-2,6,9,12,13-pentathia-dispiro[4.1.4.2]tridecane (3S,5R)-3-Ethyl-5-methyl-1,2,4-trithiolane trans-3-Ethyl-5-methyl-1,2,4-trithiolane 1,2,3-trithiolane 3,5-Dimethyl-3,5-diaethyl-1,2,4-trithiolan 4-<(trimethylsilyl)methyl>-1,2,3-trithiacyclopentane 3,3,5,5-tetramethyl-1,2,4-trithiolane 4-oxide 3,3,5,5-tetramethyl-1,2,4-trithiolane 1-oxide (1R,2R,6R,7R)-3,4,5-trithiatricyclo[5.2.1.02,6]dec-8-ene 1,2,4-Trithiolane, 3,5-dimethyl, #1 2-(1,2,3-trithiaspiro[4.4]nonan-9-yl)ethanethioic S-acid (3S)-3-methyl-1,2,4-trithiolane (3R)-3-propan-2-yl-1,2,4-trithiolane (3S)-3-propan-2-yl-1,2,4-trithiolane (3R,5R)-3,5-bis(2-methylpropyl)-1,2,4-trithiolane 1,2,4-Trithiolane, 5-ethenyl-3-ethyl (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]dec-8-ene Trithiolan-4-ylphosphonic acid (3R)-3-methyl-1,2,4-trithiolane (3R)-3-methyl-1,2,4-trithiolane;(3S)-3-methyl-1,2,4-trithiolane 1,2,4-Trithiolane, 3-ethyl-5-(1-methylethyl), #1 1,2,4-Trithiolane, 3-methyl-5-(1-methylethyl), #1 4,6a-Dihydro-3aH-cyclopenta[d][1,2,3]trithiole dispiro[adamantane-2,3'-(1,2,4)-trithiolane-5',2'-adamantane] 1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro<3.1.3.2>undecane-2,8-dione trans-2,2'-(1,2,4-Trithiolan-3,5-diyliden)bis(3,3-dimethylbutyronitril) 3,5-diisopropylidene-1,2,4-trithiolane

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