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(3S)-1-甲氧基-3-庚烷硫醇 | 400052-49-5

中文名称
(3S)-1-甲氧基-3-庚烷硫醇
中文别名
——
英文名称
(S)-1-methoxyheptane-3-thiol
英文别名
(S)-1-methoxy-3-heptanethiol;(3S)-1-methoxyheptane-3-thiol
(3S)-1-甲氧基-3-庚烷硫醇化学式
CAS
400052-49-5
化学式
C8H18OS
mdl
——
分子量
162.296
InChiKey
HRYCNFLXCKVTER-QMMMGPOBSA-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:
    2.81
  • 物理描述:
    Colourless liquid; Sulfureous aroma
  • 溶解度:
    Practically insoluble or insoluble in water
  • 密度:
    0.901-0.905
  • 折光率:
    1.442-1.449

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    10
  • 可旋转键数:
    6
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    10.2
  • 氢给体数:
    1
  • 氢受体数:
    2

反应信息

  • 作为产物:
    描述:
    (S)-S-[1-(2-methoxyethyl)pentyl] ethanethioate 在 lithium aluminium tetrahydride 作用下, 以91%的产率得到(3S)-1-甲氧基-3-庚烷硫醇
    参考文献:
    名称:
    Use of thio derivates as flavoring ingredients
    摘要:
    公开号:
    EP1249446B1
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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。
  • Use of thio derivatives as perfuming and flavoring ingredients
    申请人:——
    公开号:US20030040460A1
    公开(公告)日:2003-02-27
    The compounds of formula 1 in the form of any one of their isomers or of mixtures thereof, and wherein R represents a hydrogen atom or an acetyl group, R 1 represents a methyl or an ethyl group and R 2 represents a C 3 -C 4 linear or branched alkyl group, are useful for the perfume and flavor industries.
    化合物1的公式,以其任何异构体或其混合物的形式存在,其中R代表氢原子或乙酰基,R1代表甲基或乙基基团,R2代表C3-C4线性或支链烷基团,对香料和食品添加剂工业有用。
  • Use of thio derivates as perfuming and flavoring ingredients
    申请人:FIRMENICH SA
    公开号:EP1249446A2
    公开(公告)日:2002-10-16
    The compounds of formula in the form of any one of their isomers or of mixtures thereof, and wherein R represents a hydrogen atom or an acetyl group, R1 represents a methyl or an ethyl group and R2 represents a C3-C4 linear or branched alkyl group, are useful for the perfume and flavor industries.
    式化合物 其中 R 代表氢原子或乙酰基,R1 代表甲基或乙基,R2 代表 C3-C4 直链或支链烷基。
  • 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。
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