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3-mercaptobutanoic acid n-hexyl ester | 796857-79-9

中文名称
——
中文别名
——
英文名称
3-mercaptobutanoic acid n-hexyl ester
英文别名
Hexyl 3-mercaptobutanoate;hexyl 3-sulfanylbutanoate
3-mercaptobutanoic acid n-hexyl ester化学式
CAS
796857-79-9
化学式
C10H20O2S
mdl
——
分子量
204.334
InChiKey
HDYQKQAKXIPCAP-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

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    13
  • 可旋转键数:
    8
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.9
  • 拓扑面积:
    27.3
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    3-mercaptobutanoic acid n-hexyl ester甲醇乙酰氯 为溶剂, 以98%的产率得到3-acetylthiobutanoic acid hexyl ester
    参考文献:
    名称:
    Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients
    摘要:
    本发明涉及一种香味或香料组合物,包括至少一种公式11或其前体的化合物,其中R1代表1至8个碳原子的支链或直链烷基,烯基或烯二烃基,R2代表甲基或乙基基团,并且涉及使用这些化合物之一对食品、饮料或消费者保健或家庭产品进行调味的方法。
    公开号:
    US20010031720A1
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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。
  • 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS
    申请人:SYMRISE AG
    公开号:US20220033338A1
    公开(公告)日:2022-02-03
    The present invention relates to novel compounds of formula (I) as well as mixtures comprising or consisting of compounds of formula (I). Furthermore, the present invention relates to a process for the preparation of the compounds of formula (I) and to the use of the compounds of formula (I) as a perfuming ingredient, in particular as a lily of the valley perfuming ingredient. Ultimately, the present invention relates to perfume preparations and perfumed products or consumer goods comprising at least one of the compounds of formula (I).
    本发明涉及公式(I)的新化合物,以及包含或由公式(I)化合物组成的混合物。此外,本发明还涉及制备公式(I)化合物的方法,以及将公式(I)化合物用作香料成分,特别是用作铃兰香料成分的用途。最终,本发明涉及香水配制品和含有公式(I)化合物之一的香水产品或消费品。
  • Organoleptic compositions
    申请人:Givaudan SA
    公开号:EP1153547A2
    公开(公告)日:2001-11-14
    The present invention relates to flavor or fragrance composition comprising at least one compound of the formula I or a precursor thereof, wherein R1 represents a branched or unbranched alkyl, alkenyl or alkadienyl group containing 1 to 8 carbon atoms and R2 represents a methyl or an ethyl group and to a method of flavoring a food, a beverage or a consumer healthcare or household product using at least one of these compounds.
    本发明涉及包含至少一种式 I 的化合物或其前体的香精或香料组合物。 或其前体,其中 R1 代表含有 1 至 8 个碳原子的支链或未支链烷基、烯基或烷二烯基,R2 代表甲基或乙基;本发明还涉及使用至少一种此类化合物为食品、饮料或保健消费品或家用产品调味的方法。
  • 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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