3-mercaptohexanal
3-sulfanylhexanal

供应商赞助商 Supplier Sponsors

CAS号 CAS Number: 51755-72-7Picture of molecule3D/INCHI
FDA UNII:7YS9XL4686
nikkaji网站 Nikkaji Web:J740.294E
XlogP3-AA:1.30(est) 1.30 (est)
分子量 Molecular Weight:132.22584000
式 Formula:c6 h12 o s C6 H12 O S
核磁共振预测器 NMR Predictor:预测(适用于Chrome或Firefox) Predict (works with chrome or firefox)
efsa / jecfa评论 EFSA/JECFA Comments:
指定的立体异构体组成。次要成分 Stereoisomeric composition to be specified. Secondary components: 5%反式2-己 5 % Trans-2-hexenal, 1%3-巯基己二醚 1 % 3-mercaptohexenal diethyl ether, 1%二聚体。 1 % dimers. 外消旋体(effa Racemate (EFFA, 2012j)。 2012j). 次要成分 Secondary components: 5%反式2-己 5 % Trans-2-hexenal, 1%3-巯基己二醚 1 % 3-mercaptohexenal diethyl ether, 1%二聚体。 1 % dimers.
类别 Category:flavoring agents
 
美国 US/欧盟 EU/ fda / jecfa / fema / Flavis / 文献 Scholar /专利 Patent :
谷歌学术 Google Scholar:搜索 Search
谷歌书 Google Books:搜索 Search
谷歌学术 Google Scholar: with word "volatile"搜索 Search
谷歌学术 Google Scholar: with word "flavor"搜索 Search
谷歌学术 Google Scholar: with word "odor"搜索 Search
调香师和调味师 Perfumer and Flavorist:搜索 Search
谷歌专利 Google Patents:搜索 Search
美国专利 US Patents:搜索 Search
欧盟专利 EU Patents:搜索 Search
pubchem专利 Pubchem Patents:搜索 Search
jecfa食品调味料 JECFA Food Flavoring:1929年3巯基己醛 1929 3-mercaptohexanal
Flavis号码 FLAVIS Number:12.250(旧) 12.250 (Old)
dg sante食品调味料 DG SANTE Food Flavourings:12.250 3-巯基己醛 12.250 3-mercaptohexanal
fema号 FEMA Number:4585 3-mercaptohexanal
自由贸易区 FDA:不再提供这七种合成调味剂的使用 No longer provide for the use of these seven synthetic flavoring substances
fda mainterm(satf) FDA Mainterm (SATF):51755-72-7 ; 3-MERCAPTOHEXANAL
 
物理性质 Physical Properties:
出现 Appearance:无色透明液体(est) colorless clear liquid (est)
化验 Assay: 92.00至100.00 92.00 to 100.00
食品化学品法典列表 Food Chemicals Codex Listed: No
比重 Specific Gravity:0.97300 to 1.08300 @ 25.00 °C.
磅每加仑-(est)。 Pounds per Gallon - (est).: 8.096 to 9.012
折光率 Refractive Index:1.51500 to 1.52500 @ 20.00 °C.
沸点 Boiling Point: 183.00 to 185.00 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 41.00 to 42.00 °C. @ 2.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:0.682000 毫米汞柱 mm汞 Hg @ 25.00 °C. (est)
闪点 Flash Point: 151.00 °F. tcc TCC ( 66.11 °C. )
logp(o / w) logP (o/w): 1.829(est) 1.829 (est)
溶于 Soluble in:
 alcohol
 水 water, 25°C下3386 mg / l(est) 3386 mg/L @ 25 °C (est)
不溶于 Insoluble in:
 水 water
 
感官特性 Organoleptic Properties:
气味描述 Odor Description:锋利的洋葱 sharp onion
来自其他 的气味和/或风味描述(如果找到)。 Odor and/or flavor descriptions from others (if found).
 
化妆品信息 Cosmetic Information:
没找到 None found
 
供应商 Suppliers:
艾克辛 Axsyn
仅供实验/研究使用。 For experimental / research use only.
己醛 Hexanal, 3巯基 3-mercapto-
Parchem Parchem
3-mercaptohexanal
化学资源协会 Chemical sources Association Inc
需要这个物品来调味/食用吗? Need This Item for Flavor/Food?: 您 You can contact the 化学资源协会 Chemical sources Association Inc
 
安全信息 Safety Information:
 
危害识别 Hazards identification
 
物质或混合物的分类 Classification of the substance or mixture
根据29 cfr 1910(osha hcs)进行ghs分类 GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
没有找到。 None found.
ghs标签元素 GHS Label elements, 包括预防性声明 including precautionary statements
 
象形图 Pictogram
 
危险说明 Hazard statement(s)
没有找到。 None found.
防范说明 Precautionary statement(s)
没有找到。 None found.
口服/肠胃外毒性 Oral/Parenteral Toxicity:
未定 Not determined
皮肤毒性 Dermal Toxicity:
未定 Not determined
吸入毒性 Inhalation Toxicity:
未定 Not determined
 
使用安全信息 Safety in Use Information:
类别 Category: flavoring agents
3巯基己醛使用水平的推荐值 Recommendation for 3-mercaptohexanal usage levels up to:
 不用于香水。 not for fragrance use.
 
最大化源自调查的每日摄入量(ms di- di- eu) : 0.012(微克/ 均/天) 0.012 (μg/capita/day)
修改后的理论增加的最大每日摄入量(mtamdi) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1900(微克/ /天) 1900 (μg/person/day)
关注点 Threshold of Concern:1800(微克/ /天) 1800 (μg/person/day)
结构类 Structure Class: I
采用 Use 等级 levels for FEMA GRAS flavoring 物质 substances on 哪一个 which the FEMA 专家 Expert 面板 Panel 基于 based its its 判断 judgments that the 物质 substances are 通常 generally 公认的 recognized as safe (GRAS).
The 专家 Expert 面板 Panel also 发表 publishes 分离 separate 广泛 extensive 评论 reviews of scientific information on all FEMA GRAS flavoring 物质 substances and can be 发现 found at FEMA 味道 Flavor Ingredient 图书馆 Library
出版编号 publication number: 24
点击这里查看出版物24 Click here to view publication 24
 平均 average 通常 usual 百万分之几 ppm平均 average 最大 maximum 百万分之几 ppm
焙烤食品 baked goods: --
饮料(不含醇) beverages(nonalcoholic): 0.010000.05000
醇饮料 beverages(alcoholic): 0.010000.05000
早餐麦片 breakfast cereal: --
起司 cheese: --
口香糖 chewing gum: --
调味品/调味品 condiments / relishes: --
糖果烧烤 confectionery froastings: --
蛋制品 egg products: --
脂肪/油 fats / oils: --
鱼产品 fish products: --
冷冻乳制品 frozen dairy: --
水果冰 fruit ices: --
明胶/布丁 gelatins / puddings: --
砂糖 granulated sugar: --
肉汁 gravies: --
硬糖 hard candy: 0.020000.10000
仿乳制品 imitation dairy: --
速溶咖啡/茶 instant coffee / tea: --
果酱/果冻 jams / jellies: --
肉制品 meat products: --
奶制品 milk products: --
坚果产品 nut products: --
其他谷物 other grains: --
家禽 poultry: --
加工水果 processed fruits: --
加工蔬菜 processed vegetables: --
重构蔬菜 reconstituted vegetables: --
调味料 seasonings / flavors: --
休闲食品 snack foods: --
软糖 soft candy: --
汤类 soups: --
糖替代品 sugar substitutes: --
甜酱 sweet sauces: --
 
根据委员会法规ec EC号的食品类别。 1565/2000(ec , 2000)在fge.06(efsa 2000) in FGE.06 (EFSA, 2002a). 根据 According to the Industry the "正常 normal" use is 定义的 defined as the 平均 average of 已报告 reported 用法 用法 usages and "最大 maximum use" is 定义的 defined as the 95th 百分位 percentile of 已报告 reported 用法 用法 usages (efsa EFSA, 2002i)。 2002i).
注意 Note: 毫克/千克= 0.001 / 1000 = 0.000001 = 1/1000000 = 百万分之几 ppm
 平均 average 用法 usage mg/kg kg最大 maximum 用法 usage mg/kg kg
乳制品 Dairy products, 不包括02.0(01.0)类产品 excluding products of category 02.0 (01.0): 0.050000.25000
脂肪和油脂 Fats and oils, 和脂肪乳液(油包水型)(02.0) and fat emulsions (type water-in-oil) (02.0): 0.050000.25000
食用冰 Edible ices, 包括果子露和果汁冰糕(03.0) including sherbet and sorbet (03.0): 0.500002.50000
加工水果(04.1) Processed fruit (04.1): 0.050000.25000
加工蔬菜(包括蘑菇和真菌) Processed vegetables (incl. mushrooms & fungi, 根与根块茎 roots & tubers, 豆类和豆类) pulses and legumes), 和坚果种子(04.2) and nuts & seeds (04.2): 0.050000.25000
糖果(05.0) Confectionery (05.0): 5.0000025.00000
谷物和谷物产品 Cereals and cereal products, 含税面粉根和淀粉块茎 incl. flours & starches from roots & tubers, 脉冲和豆类 pulses & legumes, 不包括面包店(06.0) excluding bakery (06.0): --
烘焙用具(07.0) Bakery wares (07.0): 0.500002.50000
肉和肉制品 Meat and meat products, 包括家禽和野味(08.0) including poultry and game (08.0): 0.050000.25000
鱼和鱼制品 Fish and fish products, 包括软体动物 including molluscs, 甲壳类和棘皮类动物(麦克 MCE)(09.0) : 0.050000.25000
鸡蛋和蛋制品(10.0) Eggs and egg products (10.0): --
甜味剂 Sweeteners, 包括蜂蜜(11.0) including honey (11.0): --
盐 Salts, 香料 spices, 汤类 soups, 酱料 sauces, 色拉 salads, 蛋白产品 protein products, 等(12.0) etc. (12.0): 0.050000.25000
用于特定营养用途的食品(13.0) Foodstuffs intended for particular nutritional uses (13.0): --
不含醇 Non-酒鬼 alcoholic ("柔软的 soft") 饮料 beverages, 不包括乳制品(14.1) excl. dairy products (14.1): 5.0000025.00000
含醇的饮料 Alcoholic beverages, 含税无醇和低醇的对口(14.2) incl. alcohol-free and low-alcoholic counterparts (14.2): 5.0000025.00000
即食美味(15.0) Ready-to-eat savouries (15.0): 0.050000.25000
复合食品(例如砂锅菜) Composite foods (e.g. casseroles, 肉馅饼 meat pies, 百果馅)-无法放在01.0-15.0(16.0)类别中的食物 mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.050000.25000
 
安全参考 Safety references:
欧洲食品安全法规(efsa) European Food Safety Athority(efsa):风味使用水平;亚急性 Flavor usage levels; Subacute, 亚慢性 Subchronic, 慢性和致癌性研究;发育/ 毒性研究;遗传毒性研究... Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

欧洲食品安全局(efsa EFSA)参考 :

调味组评估08 Rev2(fge.08 rev2) Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 脂族和脂环族单- Aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 polysulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups from chemical 团体 groups 20 and 30
视图 View page or 视图 View pdf

调味品组评价的科学见解8 Scientific Opinion on Flavouring Group Evaluation 8, 版本3(fge.08rev3) Revision 3 (FGE.08Rev3): 脂族和脂环族单- Aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 polysulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups from chemical 团体 groups 20 and 30
视图 View page or 视图 View pdf

调味品组评价的科学见解08 Scientific Opinion on Flavouring Group Evaluation 08, 修订版4(fge.08rev4) Revision 4 (FGE.08Rev4): 脂族和脂环族单- Aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 polysulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups from chemical 团体 groups 20 and 30
视图 View page or 视图 View pdf

调味品组评价的科学见解08 Scientific Opinion on Flavouring Group Evaluation 08, 修订版5(fge.08rev5) Revision 5 (FGE.08Rev5): 脂族和脂环族单- Aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 polysulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups from chemical 团体 groups 20 and 30
视图 View page or 视图 View pdf

Epi系统 EPI System: 视图 View
EPA ACToR:毒理学资料 Toxicology Data
EPA物质注册服务(SRS) :注册表 Registry
实验室化学安全摘要 Laboratory Chemical Safety Summary :527445
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data
德国wgk WGK Germany:3
3-sulfanylhexanal
chemidplus Chemidplus:0051755727
 
参考资料 References:
莱芬韦尔 Leffingwell:手性或物品 Chirality or Article
 3-sulfanylhexanal
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):527445
pubchem(sid) Pubchem (sid):125694189
 
其他资料 Other Information:
(iupac) (IUPAC):元素的原子量2009 Atomic Weights of the Elements 2009
(iupac) (IUPAC):元素的原子量2009(pdf) Atomic Weights of the Elements 2009 (pdf)
影片 Videos:元素周期表 The Periodic Table of Videos
RBC :本网站使用的原子量 Atomic Weights use for this web site
(iupac) (IUPAC):元素周期表 Periodic Table of the Elements
食品中添加的fda物质(以前为af) FDA Substances Added to Food (formerly EAFUS):视图 View
hmdb(人类代谢组数据库) HMDB (The Human Metabolome Database):搜索 Search
化学蜘蛛 ChemSpider:视图 View
o FAO:3-巯基己醛 3-Mercaptohexanal
 
潜在搅拌机 Potential Blenders and core 组件 components note
气味 For Odor
胶质的 alliaceous
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
咖啡 coffee
咖啡 coffee difuran
FL/FR
多肉的 meaty
多肉的 meaty dithiane
FL/FR
烤 roasted
2-
methyl-1-butanol
FL/FR
辣的 spicy
ethyl vinyl ketone
FL/FR
含硫的 sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
2-(
methyl thio) phenol
FL/FR
洋葱 onionoil
FL/FR
洋葱 onionoil CO2 extract
FL/FR
洋葱 onionoil dutch
FL/FR
洋葱 onionoil egypt
FL/FR
洋葱 onionoil mexico
FL/FR
4-
热带 tropical oxathiane
FL/FR
热带 tropical
cis-
galbanum oxathiane
FL/FR
用于调味 For Flavor
找不到适合这些的口味组 No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
异 iso
amyl mercaptan
FL
diethyl trisulfide
FL
二异戊基 di异戊基 isoamyl disulfide
FL
(z + e)-2 (Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(z + e)-2 (Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl 3-(methyl thio)-(E)-2-propenoate
FL
2-
heptane thiol
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
methyl butyl sulfide
FL
2-
methyl-1-butanol
FL/FR
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
prenyl mercaptan
FL
异 iso
propyl disulfide
FL
胶质的 alliaceous
胶质的 alliaceous
葱属 allium porrum extract
FL
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
环戊基 cyclopentyl mercaptan
FL
二环己基 dicyclohexyl disulfide
FL
diethyl disulfide
FL
韭葱 leekoil
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
葱 shallotoil
FL
咖啡 coffee
咖啡 coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
蛋黄 eggy
异 iso
propyl mercaptan
FL
果味的 fruity
4-
热带 tropical oxathiane
FL/FR
大蒜 garlic
allyl methyl sulfide
FL
大蒜 garlic oleoresin
FL
绿 green
cis-
galbanum oxathiane
FL/FR
多肉的 meaty
多肉的 meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(r (R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
发霉的 musty
2-
methyl 5-(methyl thio) furan
FL/FR
洋葱 onion
methionol
FL
methyl propyl trisulfide
FL
烤 roasted
ethyl 3-(furfuryl thio) propionate
FL
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
海鲜 seafood
1,4-
dithiane
FL
辣的 spicy
ethyl vinyl ketone
FL/FR
含硫的 sulfurous
allyl sulfide
FL
butyl mercaptan
FL
二烯丙基 diallyl polysulfides
FL
二烯丙基 diallyl tetrasulfide
FL
二烯丙基 diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
洋葱 onionoil
FL/FR
洋葱 onionoil CO2 extract
FL/FR
洋葱 onionoil dutch
FL/FR
洋葱 onionoil egypt
FL/FR
洋葱 onionoil mexico
FL/FR
洋葱 onion oleoresin
FL
蔬菜 vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
潜在用途 Potential Uses:
没找到 None found
 
存在(自然 Occurrence (nature, food, 其他) other):note
 自然界中找不到 not found in nature
 
同义词 Synonyms:
 hexanal, 3巯基 3-mercapto-
3-sulfanyl hexanal
3-sulfanylhexanal
 

文章 Articles:

已发布 PubMed:β-裂合酶催化的半胱氨酸结合物裂解产生3-巯基己醛和3-巯基己醇的立体化学过程。 Stereochemical course of the generation of 3-mercaptohexanal and 3-mercaptohexanol by beta-lyase-catalyzed cleavage of cysteine conjugates.
已发布 PubMed:通过脂肪酶催化的3-乙酰基硫酯水解生成3-巯基己醛和3-巯基己醇的立体选择性。 Stereoselectivity of the generation of 3-mercaptohexanal and 3-mercaptohexanol by lipase-catalyzed hydrolysis of 3-acetylthioesters.
已发布 PubMed:巯基醛的合成及其感官特性。 Synthesis and sensorial properties of mercaptoaldehydes.
已发布 PubMed:金属取代碳酸酐酶 Metal substitutions incarbonic anhydrase: 卤离子探针研究。 a halide ion probe study.
 
笔记 Notes:
没找到 None found
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