dextro,laevo-3-(甲硫基)丁酮 laevo-3-(methyl thio) butanone
3-(甲硫基)-2-丁酮 3-(methylthio)-2-butanone

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    m1113 3-甲硫基-2-丁酮> 98.0%(gc) M1113 3-Methylthio-2-butanone >98.0%(GC)
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    3-甲硫基-2-丁酮 3-Methylthio-2-butanone
Name:3-甲基硫烷基丁-2- 3-methylsulfanylbutan-2-one
CAS号 CAS Number: 53475-15-3Picture of molecule3D/INCHI
ECHA EINECS - REACH 预注册 Pre-Reg:258-576-6
FDA UNII:9B48E0787W
nikkaji网站 Nikkaji Web:J295.966F
贝尔斯坦数 Beilstein Number:1741693
MDL :mfcd00008761 MFCD00008761
XlogP3-AA:1.00(est) 1.00 (est)
分子量 Molecular Weight:118.19890000
式 Formula:c5 h10 o s C5 H10 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)
Name:(3r)-3-甲基硫烷基丁烷-2-一 (3R)-3-methylsulfanylbutan-2-one
CAS号 CAS Number: 53475-15-3 (R)Picture of molecule3D/INCHI
贝尔斯坦数 Beilstein Number:1741693
XlogP3-AA:1.00(est) 1.00 (est)
分子量 Molecular Weight:118.19890000
式 Formula:c5 h10 o s C5 H10 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)
Name:(3s)-3-甲基硫烷基丁烷-2-一 (3S)-3-methylsulfanylbutan-2-one
CAS号 CAS Number: 53475-15-3 (S)Picture of molecule3D/INCHI
XlogP3-AA:1.00(est) 1.00 (est)
分子量 Molecular Weight:118.19890000
式 Formula:c5 h10 o s C5 H10 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:
规格(调味品行业 Specifications (Flavour Industry, 2005h)。外消旋体(effa 2005h). Racemate (EFFA, 2010a)。 2010a).
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:1688 3-(甲硫基)-2-丁酮 1688 3-(methylthio)-2-butanone
Flavis号码 FLAVIS Number:12.285(旧) 12.285 (Old)
dg sante食品调味料 DG SANTE Food Flavourings:12.285 3-(甲硫基)-2-丁酮 12.285 3-(methylthio)-2-butanone
fema号 FEMA Number:4181 3-(甲硫基)-2-丁酮 3-(methylthio)-2-butanone
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):53475-15-3 ; 3-(甲硫基)-2-丁酮 3-(methylthio)-2-butanone
 
物理性质 Physical Properties:
出现 Appearance:黄透明液体(est) yellow clear liquid (est)
化验 Assay: 97.00至100.00 97.00 to 100.00
食品化学品法典列表 Food Chemicals Codex Listed: No
比重 Specific Gravity:0.99200 to 0.99800 @ 25.00 °C.
磅每加仑-(est)。 Pounds per Gallon - (est).: 8.254 to 8.304
折光率 Refractive Index:1.46800 to 1.47700 @ 20.00 °C.
沸点 Boiling Point: 160.00 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 50.00 to 54.00 °C. @ 20.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:4.358000 毫米汞柱 mm汞 Hg @ 25.00 °C. (est)
闪点 Flash Point: 118.00 °F. tcc TCC ( 47.78 °C. )
logp(o / w) logP (o/w): 0.803(est) 0.803 (est)
溶于 Soluble in:
 propylene glycol
 alcohol
 水 water, 略 slightly
 水 water, 6.001e + 004 mg / l @ 25°c(est) 6.001e+004 mg/L @ 25 °C (est)
不溶于 Insoluble in:
 水 water
 
感官特性 Organoleptic Properties:
气味类型 Odor Type: sulfurous
气味强度 Odor Strength:高 high ,
建议在0.10%或更少的溶液中闻到 recommend smelling in a 0.10 % solution or less
实体性 Substantivity:丙二醇中1.00%时1 1 hour(s) at 1.00 % in propylene glycol
sulfurous milky oily potato earthy fatty
气味描述 Odor Description:at 1.00 % in propylene glycol. 硫乳状油性马铃薯土脂肪 sulfurous milky oily potato earthy fatty
Luebke, 威廉 William RBC , (2007)
来自的气味样本 Odor sample from: 西格玛·奥尔德里奇 Sigma-Aldrich
风味类型 Flavor Type: milky
milky creamy potato potato baked potato oily baked shellfish brown
口味描述 Taste Description: 乳白奶油土豆烤土豆油性烤贝类棕色 milky creamy potato baked potato oily baked shellfish brown
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:
BOC Sciences
仅供实验/研究使用。 For experimental / research use only.
3-甲硫基-2-丁酮 3-Methylthio-2-butanone
DeLong Chemicals America
3-(甲硫基)-2-丁酮 3-(methylthio)-2-butanone
Penta International
3-(甲硫基)-2-丁酮 3-(methylthio)-2-butanone
圣克鲁斯生物技术 Santa Cruz Biotechnology
仅供实验/研究使用。 For experimental / research use only.
3-(甲硫基-2-丁酮 3-(Methylthio-2-butanone
TCI AMERICA
仅供实验/研究使用。 For experimental / research use only.
3-甲硫基-2-丁酮> 98.0%(gc) 3-Methylthio-2-butanone >98.0%(GC)
United International
2-甲硫基-3-丁酮 2-Methylthio-3-Butanone
WholeChem
3-甲硫基-2-丁酮 3-Methylthio-2-butanone
 
安全信息 Safety Information:
首选sds SDS : 视图 View
欧洲信息 European information :
最重要的危害 Most important hazard(s):
xi-刺激性 Xi - Irritant
R 10 - 易燃的 Flammable.
R 38 - 烦 的 Irritating to skin 皮.
S 02 - 保持 Keep out of the 达到 reach of 孩子们 children.
S 16 - 保持 Keep 远 away from 资料来源 sources of 点火 ignition - No 抽烟 Smoking.
S 24/25 - 避免 Avoid contact with skin 皮 and 眼睛 眼睛 eyes.
S 26 - In 案件 case of contact with 眼睛 眼睛 eyes, 冲洗 rinse 立即 immediately with 充裕 plenty of 水 water and 寻求 seek 医疗 medical advice.
S 37/39 - 穿 我们 Wear 适当 suitable 手套 gloves and 眼睛 eye/face 保护 protection.
 
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
dextro推荐 ,laevo-3-(甲硫基)丁酮的使用量最高可达 laevo-3-(methyl thio) butanone 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)
最大化源自调查的每日摄入量(ms di- di- usa) : nd(微克/ 均/天) ND (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): 320(微克/ /天) 320 (μg/person/day)
Noel(没有观察到的作用水平) NOEL (No Observed Effect Level): 0.7(每天毫克/千克体重) 0.7 (mg/kg bw per 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 也 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: 22
点击这里查看出版物22 Click here to view publication 22
 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: 0.600001.00000
饮料(不含醇) beverages(nonalcoholic): 0.500000.60000
醇饮料 beverages(alcoholic): --
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: 0.500000.70000
水果冰 fruit ices: --
明胶/布丁 gelatins / puddings: 0.500001.00000
砂糖 granulated sugar: --
肉汁 gravies: --
硬糖 hard candy: --
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: 0.200000.50000
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): 1.000005.00000
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): --
食用冰 Edible ices, 包括果子露和果汁冰糕(03.0) including sherbet and sorbet (03.0): 0.500000.70000
加工水果(04.1) Processed fruit (04.1): --
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): --
糖果(05.0) Confectionery (05.0): --
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): 0.800001.00000
肉和肉制品 Meat and meat products, 包括家禽和野味(08.0) including poultry and game (08.0): 0.200000.50000
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) : --
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): 1.000005.00000
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): 0.500006.00000
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): --
即食美味(15.0) Ready-to-eat savouries (15.0): --
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): --
 
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91(fge.91) Flavouring Group Evaluation 91 (FGE.91): jecfa(第五十三次和第六十八次会议)评估的与脂族和脂环族单-结构相关的简单脂族和芳族硫化物和硫醇的考虑 Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 poly硫化物 sulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups 已评估 evaluated by by efsa EFSA in ge FGE.08Rev1 (2009)
视图 View page or 视图 View pdf

调味品组评价的科学意见91 Scientific Opinion on Flavouring Group Evaluation 91, 版本1(fge.91rev1) Revision 1 (FGE.91Rev1): jecfa(第五十三次和第六十八次会议)评估的与脂族和脂环族单-结构相关的简单脂族和芳族硫化物和硫醇的考虑 Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 poly硫化物 sulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups 已评估 evaluated by by efsa EFSA in ge FGE.08Rev3 (2011)
视图 View page or 视图 View pdf

调味品组评价的科学意见91 Scientific Opinion on Flavouring Group Evaluation 91, 修订2(fge.91rev2) Revision 2 (FGE.91Rev2): jecfa(第五十三次和第六十八次会议)评估的与脂族和脂环族单链结构相关的简单脂族和芳族硫化物和硫醇的考虑 Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di- di- , 三 tri-, and 多硫化物 poly硫化物 sulphides with or 没有 without 额外 additional 充氧 oxygenated 功能性 functional 团体 groups 已评估 evaluated by by efsa EFSA in ge FGE.08Rev5 (2012)
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 :103788
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data
明智的 WISER:联合国1224 UN 1224
德国wgk WGK Germany:3
3-甲基硫烷基丁-2- 3-methylsulfanylbutan-2-one
chemidplus Chemidplus:0053475153
(3r)-3-甲基硫烷基丁烷-2-一 (3R)-3-methylsulfanylbutan-2-one
(3s)-3-甲基硫烷基丁烷-2-一 (3S)-3-methylsulfanylbutan-2-one
 
参考资料 References:
 3-甲基硫烷基丁-2- 3-methylsulfanylbutan-2-one
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):103788
pubchem(sid) Pubchem (sid):135060407
 (3r)-3-甲基硫烷基丁烷-2-一 (3R)-3-methylsulfanylbutan-2-one
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):7058142
pubchem(sid) Pubchem (sid):43647362
 (3s)-3-甲基硫烷基丁烷-2-一 (3S)-3-methylsulfanylbutan-2-one
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):7020891
pubchem(sid) Pubchem (sid):43617229
 
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):HMDB41558
食物 FooDB:FDB021546
出口关税代码 Export Tariff Code:2930.90.9190
化学蜘蛛 ChemSpider:视图 View
 
潜在搅拌机 Potential Blenders and core 组件 components note
气味 For Odor
黄油的 buttery
butyl butyryl lactate
FL/FR
巧克力 chocolate
cocoa hexenal
FL/FR
椰子 coconut
delta-
壬内酯 nonalactone
FL/FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
delta-
tridecalactone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
坚果 nutty pyrazine
FL/FR
fatty
(E)-2-
decenal
FL/FR
发酵的 fermented
butyl laevo-lactate
FL/FR
绿 green
(Z)-4-
heptenal
FL/FR
(E)-3-
hexen-1-ol
FL/FR
坚果 nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
辣的 spicy
2-
octanol
FL/FR
热带 tropical
热带 tropical 3-thiobutyrate
FL/FR
蔬菜 vegetable
methional
FL/FR
蜡状的 waxy
ethyl palmitate
FL/FR
delta-
tetradecalactone
FL/FR
2-
tridecanone
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
2-
butyl thiophene
FL
6-
decenoic acid
FL
2-
ethyl-3-methoxypyrazine
FL/FR
绿 green pea pyrazine
FL
2-
methoxy-3-propyl pyrazine
FL
methyl 2-(methyl thio) acetate
FL
4-(
methyl thio) butanol
FL
胶质的 alliaceous
胶质的 alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
涩 astringent
2,3-
dimethyl quinoxaline
FL
黄油的 buttery
butyl laevo-lactate
FL/FR
diacetyl
FL
卷心菜 cabbage
methyl 2-thiofuroate
FL
cocoa
cocoa hexenal
FL/FR
椰子 coconut
(R)-
massoia lactone
FL
creamy
butyl butyryl lactate
FL/FR
divanillin
FL
delta-
壬内酯 nonalactone
FL/FR
delta-
tridecalactone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
乳业 dairy
butyl lactate
FL/FR
sour
cream flavor
FL
乳业 dairy flavor
FL
fatty
2-
tridecanone
FL/FR
绿 green
(Z)-4-
heptenal
FL/FR
(E)-3-
hexen-1-ol
FL/FR
propylene glycol acetone ketal
FL
milky
gamma-
butyrolactone
FL/FR
6-(5(6)-
decenoyl oxy) decanoic acid
FL
坚果 nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
坚果 nutty pyrazine
FL/FR
辣的 spicy
蛋 egg 木栓 nog flavor
FL
2-
octanol
FL/FR
sulfurous
potato butanone
FL
热带 tropical 3-thiobutyrate
FL/FR
番茄 tomato
methional
FL/FR
蔬菜 vegetable
potato butyraldehyde
FL
蜡状的 waxy
(E)-2-
decenal
FL/FR
ethyl palmitate
FL/FR
delta-
tetradecalactone
FL/FR
酒红 winey
5-
ethyl-2-methyl pyridine
FL
 
潜在用途 Potential Uses:
 防风草 parsnip
FLpotato
FLpotato baked potato
FLpotato baked potato
FLpotato 芯片 chip
FLpotato 油炸 fried potato
 
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:
2-butanone, 3-(methylthio)-
3-methyl mercapto-2-butanone
3-(methyl 硫烷基 sulfanyl)-2-butanone
3-methyl thio-2-butanone
DL-3-(methyl thio) butanone
3-(methyl thio)-2-butanone
3-methylmercapto-2-butanone
3-(甲硫基 methyl硫烷基 sulfanyl)butan-2-one
3-甲硫基 methyl硫烷基 sulfanylbutan-2-one
3-methylthio-2-butanone
3-(methylthio)-2-butanone
DL-3-(methylthio)-2-butanone
3-(methylthio)butanone
dextro,laevo-3-(methylthio)butanone
DL-3-(methylthio)butanone
 

文章 Articles:

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笔记 Notes:
用作食品添加剂[eafus] Used as a food additive [EAFUS]
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