Name: | 2,5-dimethyltetrahydrofuran-3-thiol |
CAS号 CAS Number: | 26486-21-5 | 3D/INCHI
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FDA UNII: | 5862WM787P |
MDL : | mfcd23701759 MFCD23701759 |
XlogP3-AA: | 1.40(估 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: |
According to JECFA: Min. 化验 assay value is "96 (mixture of 4 stereoisomers)".
指定混合物的组成。 Composition of mixture to be specified.
立体异构体混合物 Mixture of stereoisomers: 40-50%2秒 40-50% 2S,3r 3R,5r 5R: 25-30%2r 25-30% 2R,3s 3S,5s 5S: 15-20%2r 15-20% 2R,3r 3R,5s 5S: 5-10%2秒 5-10% 2S,3s 3S,5r 5R: 其他 others <5% (EFFA, 2015). According to JECFA: Min. Assay value is �96 (mixture of 4 stereoisomers)�. Composition of stereoisomeric mixture to be specified. |
类别 Category:flavoring agents
美国 US/欧盟 EU/ fda / jecfa / fema / Flavis / 文献 Scholar /专利 Patent :
物理性质 Physical Properties:
出现 Appearance: | 浅黄至琥珀黄透明液体(估 est) |
Assay: | 异构体总和为96.00至100.00 96.00 to 100.00 sum of isomers
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食品化学品法典列表 Food Chemicals Codex Listed: | No |
比重 Specific Gravity: | 1.04000 to 1.04800 @ 20.00 °C.
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磅每加仑-(估 est)。 : | 8.664 to 8.731
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折光率 Refractive Index: | 1.47700 to 1.48400 @ 20.00 °C.
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沸点 Boiling Point: | 175.00 °C. @ 25.00 mm 汞 Hg
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沸点 Boiling Point: | 173.00 to 174.00 °C. @ 760.00 mm 汞 Hg (估 est)
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蒸汽压力 Vapor Pressure: | 1.720000 毫米汞柱 mm汞 Hg @ 25.00 °C. (估 est) |
闪点 Flash Point: | 137.00 °F. tcc TCC ( 58.33 °C. ) (估 est)
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logp(o / w) logP (o/w): | 1.110(估 est) |
溶于 Soluble in: |
| alcohol | | 水 water, 3567 mg / l @ 25°c(估 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 |
sulfurous roasted meaty onion |
气味描述 Odor Description:at 0.10 % in propylene glycol. 含硫的 sulfury roasted meat 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:
供应商 Suppliers:
安全信息 Safety Information:
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危害识别 Hazards identification |
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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 |
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象形图 Pictogram | |
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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
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皮肤毒性 Dermal Toxicity: |
未定 Not determined
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吸入毒性 Inhalation Toxicity: |
未定 Not determined
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使用安全信息 Safety in Use Information:
类别 Category: | flavoring agents |
(z + e)-2的推荐 Recommendation for (Z+E)-2,5-二甲基-3-四氢呋喃硫醇的使用量高达 5-dimethyl-3-tetrahydrofuran thiol usage levels up to: | | 不用于香水。 not for fragrance use.
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最大化源自调查的每日摄入量(msdi-eu) Maximised Survey-derived Daily Intakes (MSDI-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(msdi-usa) Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90(微克/ 均/天) 0.90 (μg/capita/day) |
Noel(没有观察到的作用水平) NOEL (No Observed Effect Level): | 8.30(每天mg / kg kg体重) |
结构类 Structure Class: | iii III |
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: 20 |
点击这里查看出版物20 Click here to view publication 20 |
| 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: | 0.40000 | 0.80000 |
饮料(不含醇) beverages(nonalcoholic): | 0.20000 | 0.40000 |
醇饮料 beverages(alcoholic): | 0.20000 | 0.40000 |
早餐麦片 breakfast cereal: | - | - |
起司 cheese: | - | - |
口香糖 chewing gum: | 1.00000 | 2.00000 |
调味品/调味品 condiments / relishes: | 0.20000 | 0.40000 |
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: | 0.60000 | 0.60000 |
水果冰 fruit ices: | 0.20000 | 0.40000 |
明胶/布丁 gelatins / puddings: | - | - |
砂糖 granulated sugar: | - | - |
肉汁 gravies: | 0.10000 | 0.20000 |
硬糖 hard candy: | 0.40000 | 0.80000 |
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: | 0.20000 | 0.40000 |
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: | 0.20000 | 0.40000 |
软糖 soft candy: | 0.30000 | 0.60000 |
汤类 soups: | 0.20000 | 0.40000 |
糖替代品 sugar substitutes: | - | - |
甜酱 sweet sauces: | - | - |
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...
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欧洲食品安全局(efsa EFSA)参考 :
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食品添加剂科学小组的意见 Opinion of the Scientific Panel on food additives, 调味料 seasonings / flavors, 处理中 processing 艾滋病 aids and 材料 materials in contact with food (afc AFC) 有关 related to 调味料 Flavouring 组 Group 评价 Evaluation 13 (ge FGE.13); 糠基 Furfuryl and furan 衍生品 derivatives with and 没有 without 额外 additional 侧链 side-chain 取代基 substituents and 杂原子 heteroatoms from chemical group 14 (佣金 Commission 规 Regulation (EC) No 1565/2000 of 18 视图 View page or 视图 View pdf
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调味组评估的科学见解13rev1 Scientific Opinion on Flavouring Group Evaluation 13Rev1: 糠基 Furfuryl and furan 衍生品 derivatives with and 没有 without 额外 additional 侧链 side-chain 取代基 substituents and 杂原子 heteroatoms from chemical group 14 视图 View page or 视图 View pdf
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考虑 Consideration of 硫取代的 sulfur-substituted furan 衍生品 derivatives 用过的 used as flavouring agents 已评估 evaluated by by JECFA (59th 会议 meeting) 结构上 structurally 有关 related to a 亚组 subgroup of 物质 substances 中 within the group of 呋喃基 �糠基 Furfuryl and furan 衍生品 derivatives with and 没有 without 额外 additional 侧链 side-chain 取代基 substituents and 杂原子 heteroatoms from chemical group 14� 已评估 evaluated by by efsa EFSA in ge FGE.13r 3Rev1 (2009) 视图 View page or 视图 View pdf
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调味组评估67(fge.67) Flavouring Group Evaluation 67 (FGE.67): 考虑40种呋喃取代的脂肪烃 Consideration of 40 furan-substituted aliphatic hydrocarbons, 酒类 alcohols, 醛类 aldehydes, 酮类 ketones, 羧酸及相关酯 carboxylic acids and related esters, 硫化物 sulfides, jecfa在第六十五次会议上评估了二硫化物和醚(jecfa disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b),并在第69次会议上重新评估(jecfa 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) 视图 View page or 视图 View pdf
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调味品组评价的科学见解13 Scientific Opinion on Flavouring Group Evaluation 13, 版本2(fge.13rev2) Revision 2 (FGE.13Rev2): 糠基 Furfuryl and furan 衍生品 derivatives with and 没有 without 额外 additional 侧链 side-chain 取代基 substituents and 杂原子 heteroatoms from chemical group 14 视图 View page or 视图 View pdf
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调味品组评价的科学意见67 Scientific Opinion on Flavouring Group Evaluation 67, 版本1(fge.67rev.1) Revision 1 (FGE.67Rev.1): 考虑40种呋喃取代的脂肪烃 Consideration of 40 furan-substituted aliphatic hydrocarbons, 酒类 alcohols, 醛类 aldehydes, 酮类 ketones, 羧酸及相关酯 carboxylic acids and related esters, 硫化物 sulfides, jecfa在第六十五次会议上评估了二硫化物和醚(jecfa disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b),并在第69次会议上重新评估(jecfa 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) 视图 View page or 视图 View pdf
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关于代表性测试物质清单的声明。 Statement on List of Representative Substances for Testing.
The 当前 current 声明 Statement 奠定 lays 下 down a list of 物质 substances in 亚组 sub-groups with 代表 representative 物质 substances for 哪一个 which 额外 additional data are required 事前 prior to their 评价 evaluation 通过 through the 程序 Procedure (r (Regulation (EC) No 1565/2000). 视图 View page or 视图 View pdf
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调味品组评价的科学见解65 Scientific Opinion on Flavouring Group Evaluation 65, 版本1(fge.65rev1) Revision 1 (FGE.65Rev1): 考虑 Consideration of 硫取代的 sulfur-substituted furan 衍生品 derivatives 用过的 used as flavouring agents 已评估 evaluated by by JECFA (59th 会议 meeting) 结构上 structurally 有关 related to a 亚组 subgroup of 物质 substances 中 within the group of 呋喃基 �糠基 Furfuryl and furan 衍生品 derivatives with and 没有 without 额外 additional 侧链 side-chain 取代基 substituents and 杂原子 heteroatoms from chemical group 14� 已评估 evaluated by by efsa EFSA in ge FGE.13r 3Rev2 (2011) 视图 View page or 视图 View pdf
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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 :20442793 |
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data |
2,5-dimethyltetrahydrofuran-3-thiol |
chemidplus Chemidplus:0026486215 |
参考资料 References:
| 2,5-dimethyltetrahydrofuran-3-thiol |
NIST化学网络书籍 NIST Chemistry WebBook: | 搜索INCHI |
pubchem(cid) Pubchem (cid): | 20442793 |
pubchem(sid) Pubchem (sid): | 135358251 |
其他资料 Other Information:
潜在搅拌机 Potential Blenders and 核心组件 core components note
气味 For Odor |
胶质的 alliaceous |
dimethyl trisulfide FL/FR |
methyl furfuryl disulfide FL/FR |
烧了 burnt |
rum ether FL/FR |
巧克力 chocolate |
2,6- dimethyl pyrazine FL/FR |
咖啡 coffee |
咖啡 coffee difuran FL/FR |
furfuryl mercaptan FL/FR |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR |
泥土的 earthy |
坚果 nutty pyrazine FL/FR |
发酵的 fermented |
ethyl crotonate FL/FR |
果味的 fruity |
热带 tropical thiazole FL/FR |
热带 tropical trithiane FL/FR |
绿 green |
2- heptyl furan FL/FR |
(E,Z)-2,6- nonadienal FL/FR |
meaty |
meaty dithiane FL/FR |
4- methyl nonanoic acid FL/FR |
sulfurol FL/FR |
硫磺基 含硫的 sulfuryl acetate FL/FR |
发霉的 moldy |
草莓 strawberry 呋喃酮 furanone methyl ether FL/FR |
发霉的 moldy |
榛子坚果 hazel nut pyrazine FL/FR |
坚果 nutty |
2- ethyl pyrazine FL/FR |
2- ethyl-4-methyl thiazole FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
酚醛的 phenolic |
2,3- dimethyl benzofuran FL/FR |
ortho- guaiacol FL/FR |
4- vinyl phenol FL/FR |
烟 smoky |
火成的 pyroligneous acids acids FL/FR |
sulfurous |
benzothiazole FL/FR |
cocoa essence FL/FR |
ethyl 2-mercaptopropionate FL/FR |
ethyl 3-mercaptobutyrate FL/FR |
ethyl 3-mercaptopropionate FL/FR |
鱼 fish thiol FL/FR |
furfuryl thioacetate FL/FR |
2- mercaptopropionic acid FL/FR |
4- methyl 4-mercaptopentan-2-one 1% 解 solution FL/FR |
2-( methyl thio) phenol FL/FR |
1- phenethyl mercaptan FL/FR |
烟草 tobacco |
methyl benzoxole 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 |
4- acetyl-2-methyl pyrimidine FL |
戊基 amyl mercaptan FL |
1,2- butane 二硫醇 dithiol FL |
2-(2- butyl)-4,5-dimethyl-3-thiazoline FL |
2,5- diethyl thiazole FL |
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine FL |
dimethyl tetrasulfide FL |
2,6- dimethyl-3-((2-甲基-3- 2-methyl-3-furyl)thio)-4-heptanone FL |
bis(2 ,5- dimethyl-3-furyl) disulfide FL |
(z + e)-2 (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL |
2,5- dimethyl-3-thiofuroyl furan FL |
s- S- ethyl 2-acetyl 氨基乙烷 amino乙烷 ethane thioate FL |
ethyl 3-mercaptobutyrate FL/FR |
ethyl 3-mercaptopropionate FL/FR |
2- ethyl-3-methyl thiopyrazine FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL |
2- hexyl thiophene FL |
1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL |
3- mercapto-3-methyl butyl formate FL |
4- mercapto-3-methyl-2-butanol FL |
4- methyl 4-mercaptopentan-2-one 1% 解 solution FL/FR |
methyl 二氢呋喃 dihydrofuran thiol FL |
methyl m乙烷 ethane thiosulfonate FL |
2- methyl thiazolidine FL |
2-( methyl thio) methyl-2-butenal FL |
2- methyl-1-butane thiol FL |
4- methyl-2-(methyl 硫代甲基 thiomethyl)-2-hexenal FL |
2- methyl-2-thiazoline FL |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
3-((2- methyl-3-furyl)thio)-4-heptanone FL |
4-((2- methyl-3-furyl)thio)-5-nonanone FL |
1,9- nonane 二硫醇 dithiol FL |
1- phenethyl mercaptan FL/FR |
异 iso propyl disulfide FL |
2-iso propyl-3-(methyl thio) pyrazine FL |
thiazole FL |
3- thienyl mercaptan FL |
硫代乙酸 thioacetic acid FL |
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3,5- diisopropyl-1,2,4-trithiolane FL |
3,5- dimethyl-1,2,4-trithiolane FL |
3,7- dimethyl-2,6-octadien-1-yl 环丙基 cyclopropyl carboxamide FL |
2,4- dimethyl-3-oxazoline FL |
4- mercapto-2-pentanone 1% in acetoin FL |
2- methyl-1-methyl thio-2-butene FL |
(1 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL |
1-(2- thienyl) butanone FL |
胶质的 alliaceous |
胶质的 alliaceous |
allyl disulfide FL |
allyl mercaptan FL |
1,3- butane 二硫醇 dithiol FL |
环戊基 cyclopentyl mercaptan FL |
dimethyl trisulfide FL/FR |
3- mercapto-2-pentanone FL |
3- tetrahydrothiophenone FL |
热带 tropical thiazole FL/FR |
烧了 burnt |
培根 bacon dithiazine FL |
1,6- hexane 二硫醇 dithiol FL |
rum ether FL/FR |
chemical |
2,3- dimethyl benzofuran FL/FR |
2,5- dimethyl furan FL |
巧克力 chocolate |
cocoa essence FL/FR |
咖啡 coffee |
咖啡 coffee difuran FL/FR |
2- ethyl-4-methyl thiazole FL/FR |
furfuryl mercaptan FL/FR |
methyl furfuryl disulfide FL/FR |
methyl furfuryl thiol FL |
泥土的 earthy |
二糠基 difurfuryl sulfide FL |
1,8- octane 二硫醇 dithiol FL |
蛋黄 eggy |
异 iso propyl mercaptan FL |
脂肪的 fatty |
2- heptyl furan FL/FR |
4- methyl nonanoic acid FL/FR |
2- pentyl thiophene FL |
果味的 fruity |
热带 tropical trithiane FL/FR |
绿 green |
4- methyl thiazole FL |
(E,Z)-2,6- nonadienal FL/FR |
4- penten-1-yl acetate FL |
meaty |
4- allyl-2,6-dimethoxyphenol FL |
benzothiazole FL/FR |
2,6- dimethyl thiophenol FL |
2,5- dimethyl-3-furan thiol FL |
1,1- 乙烷 ethane 二硫醇 dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL |
furfuryl 2-甲基-3- 2-methyl-3-furyl disulfide FL |
meaty dithiane FL/FR |
3- mercapto-2-butanone FL |
(r (R,S)-2- mercapto-3-butanol FL |
2- mercaptomethyl pyrazine FL |
2- mercaptopropionic acid FL/FR |
2- methyl 3-(methyl thio) furan FL |
2-( methyl thio) phenol FL/FR |
methyl 硫呋喃基 thiofuryl butanal FL |
12- methyl tridecanal FL |
bis(2 - methyl-3-furyl) disulfide FL |
s- S-(2- methyl-3-furyl) 乙烷 ethane thioate FL |
2- methyl-3-tetrahydrofuran thiol FL |
2- methyl-3-thioacetoxytetrahydrofuran FL |
phenyl mercaptan FL |
propyl 2-mercaptopropionate FL |
吡嗪基 pyrazinyl 乙烷 ethane thiol FL |
2- pyridinyl m乙烷 ethane thiol FL |
sulfurol FL/FR |
硫磺基 含硫的 sulfuryl acetate FL/FR |
thialdine FL |
ortho- thiocresol FL |
ortho- thioguaiacol FL |
金属的 metallic |
2,5- dihydroxy-1,4-dithiane FL |
发霉的 moldy |
草莓 strawberry 呋喃酮 furanone methyl ether FL/FR |
发霉的 moldy |
榛子坚果 hazel nut pyrazine FL/FR |
坚果 nutty |
3- acetyl-2,5-dimethyl thiophene FL |
2- acetyl-4-methyl thiazole FL |
3,5- diethyl-2-methyl pyrazine FL |
2,5- diethyl-3-methyl pyrazine FL |
2,6- dimethyl pyrazine FL/FR |
2- ethyl pyrazine FL/FR |
methyl benzoxole FL/FR |
坚果 nutty pyrazine FL/FR |
坚果 nutty thiazole FL |
onion |
ethyl 2-mercaptopropionate FL/FR |
furfuryl isopropyl sulfide FL |
酚醛的 phenolic |
2- ethylbenzene thiol FL |
4- vinyl phenol FL/FR |
爆米花 popcorn |
2- propionyl-2-thiazoline FL |
萝卜 radish |
3-( methyl thio) propyl mercaptoacetate FL |
roasted |
furfuryl thioacetate FL/FR |
hexyl mercaptan FL |
拉米 rummy |
ethyl crotonate FL/FR |
烟 smoky |
prosopis juliflora 木 wood extract FL |
火成的 pyroligneous acids acids FL/FR |
sulfurous |
2,3- butane 二硫醇 dithiol FL |
ethyl methyl sulfide FL |
s- S- ethyl thioacetate FL |
鱼 fish thiol FL/FR |
methyl 2-甲基-3- 2-methyl-3-furyl disulfide FL |
3- methyl-2-butane thiol FL |
2- naphthyl mercaptan FL |
roasted butanol FL |
蔬菜 vegetable |
tyramine FL |
芥末 wasabi |
2-( methyl thio) ethyl acetate FL |
木本 woody |
ortho- guaiacol FL/FR |
发酵母的 yeasty |
faex 酵母 extracts FL |
潜在用途 Potential Uses:
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:
(z + e)-2 (Z+E)-2,5- | dimethyl tetrahydrofuran-3-thiol | (z + e)-2 (Z+E)-2,5- | dimethyl-3-mercaptotetrahydrofuran | (z + e)-2 (Z+E)-2,5- | dimethyl-3-tetrahydrofuranthiol | 2,5- | dimethyl-3-tetrahydrofuranthiol, 顺式和反式异构体 cis and trans isomers | 2,5- | dimethyltetrahydro-3-furanthiol | 2,5- | dimethyltetrahydrofuran-3-thiol | 顺式和反式2 cis and trans-2,5- | dimethyltetrahydrofuran-3-thiol | | 四氢-2 tetrahydro-2,5-dimethyl furan-3-thiol | | 四氢-2 tetrahydro-2,5-二甲基呋喃-3-硫醇 5-dimethylfuran-3-thiol |
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