Name: | 3,5-diethyl-1,2,4-trithiolane |
CAS号 CAS Number: | 54644-28-9 | 3D/INCHI
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FDA UNII: | 2X9PB2D782 |
nikkaji网站 Nikkaji Web: | J101.894I |
XlogP3-AA: | 3.40(估 est) |
分子量 Molecular Weight: | 180.35664000 |
式 Formula: | c6 h12 s3 C6 H12 S3 |
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(有效期 Specifications (EFFA, 2006)。三种非对映异构体的混合物 2006). Mixture of three diastereo-isomers (EFFA, 2010)。由于对称性,存在一个介观形式(顺式(50%))和两个转换(每个25%)(有效 2010). Due to the symmetry there is one meso-form (cis-form (50 %)) and two transforms (25 % each) (EFFA, 2013). |
类别 Category:flavoring agents
美国 US/欧盟 EU/ fda / jecfa / fema / Flavis / 文献 Scholar /专利 Patent :
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谷歌学术 Google Scholar: with word "flavor" | 搜索 Search |
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jecfa食品调味料 JECFA Food Flavoring: | 1686 3,5-diethyl-1,2,4-trithiolane |
Flavis号码 FLAVIS Number: | 15.049(旧) 15.049 (Old) |
dg sante食品调味料 DG SANTE Food Flavourings: | 15.049 3,5-diethyl-1,2,4-trithiolane |
fema号 FEMA Number: | 4030 (+/-)-顺式和反式3 (+/-)-cis- and trans-3,5-diethyl-1,2,4-trithiolane |
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): | 54644-28-9 ; (+/-)-顺- -CIs- S- and AND TRANs- S-3,5-二乙基-1 5-DIETHYL-1,2,4-TRITHIOLANE |
物理性质 Physical Properties:
出现 Appearance: | 黄透明液体(估 est) |
化验 Assay: | 异构体总和为95.00至100.00 95.00 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: | 1.14700 to 1.16000 @ 25.00 °C.
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磅每加仑-(估 est)。 : | 9.544 to 9.652
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折光率 Refractive Index: | 1.55800 to 1.57000 @ 20.00 °C.
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沸点 Boiling Point: | 70.00 to 72.00 °C. @ 1.00 mm 汞 Hg
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蒸汽压力 Vapor Pressure: | 0.018000 毫米汞柱 mm汞 Hg @ 25.00 °C. (估 est) |
闪点 Flash Point: | 236.00 °F. tcc TCC ( 113.33 °C. )
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logp(o / w) logP (o/w): | 3.377(估 est) |
溶于 Soluble in: |
| alcohol | | 水 water, 106.9 mg / l @ 25°c(估 est) |
不溶于 Insoluble in: |
| 水 water |
感官特性 Organoleptic Properties:
气味强度 Odor Strength:高 high , 建议在0.01%或更少的溶液中闻到 recommend smelling in a 0.01 % solution or less |
气味描述 Odor Description:at 0.01 % in propylene glycol. 含硫的 sulfurous |
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 |
(±)-3的建议 Recommendation for (±)-3,5-diethyl-1,2,4-三硫杂环戊烷的使用量高达 4-trithiolane 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(ms di- di- eu) : | 0.61(微克/ 均/天) 0.61 (μg/capita/day) |
最大化源自调查的每日摄入量(ms di- di- usa) : | 0.01(微克/ 均/天) 0.01 (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): | 78(微克/ /天) 78 (μg/person/day) |
关注点 Threshold of Concern: | 540(微克/ /天) 540 (μg/person/day) |
结构类 Structure Class: | II |
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: 21 |
点击这里查看出版物21 Click here to view publication 21 |
| 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 | 1.00000 |
饮料(不含醇) beverages(nonalcoholic): | 0.00800 | 0.08000 |
醇饮料 beverages(alcoholic): | 0.04000 | 0.20000 |
早餐麦片 breakfast cereal: | - | - |
起司 cheese: | - | - |
口香糖 chewing gum: | - | - |
调味品/调味品 condiments / relishes: | 0.03000 | 0.30000 |
糖果烧烤 confectionery froastings: | - | - |
蛋制品 egg products: | - | - |
脂肪/油 fats / oils: | 0.04000 | 0.20000 |
鱼产品 fish products: | 0.04000 | 0.20000 |
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: | 0.04000 | 0.20000 |
硬糖 hard candy: | - | - |
仿乳制品 imitation dairy: | 0.04000 | 0.20000 |
速溶咖啡/茶 instant coffee / tea: | - | - |
果酱/果冻 jams / jellies: | - | - |
肉制品 meat products: | 0.04000 | 0.20000 |
奶制品 milk products: | 0.01600 | 0.08000 |
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: | 0.04000 | 0.20000 |
重构蔬菜 reconstituted vegetables: | - | - |
调味料 seasonings / flavors: | 0.04000 | 0.20000 |
休闲食品 snack foods: | 0.08000 | 0.50000 |
软糖 soft candy: | - | - |
汤类 soups: | 0.01000 | 0.10000 |
糖替代品 sugar substitutes: | - | - |
甜酱 sweet sauces: | - | - |
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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): | 0.20000 | 1.00000 |
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): | 0.10000 | 0.50000 |
食用冰 Edible ices, 包括果子露和果汁冰糕(03.0) including sherbet and sorbet (03.0): | 0.20000 | 1.00000 |
加工水果(04.1) Processed fruit (04.1): | 0.20000 | 1.00000 |
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): | 0.20000 | 1.00000 |
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): | 0.10000 | 0.50000 |
烘焙用具(07.0) Bakery wares (07.0): | 0.20000 | 1.00000 |
肉和肉制品 Meat and meat products, 包括家禽和野味(08.0) including poultry and game (08.0): | 0.20000 | 0.20000 |
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) : | 0.10000 | 0.20000 |
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): | 0.10000 | 0.50000 |
用于特定营养用途的食品(13.0) Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 |
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): | 0.10000 | 0.30000 |
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): | 0.20000 | 1.00000 |
即食美味(15.0) Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 |
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): | 0.10000 | 0.50000 |
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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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
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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
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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
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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 :520895 |
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data |
3,5-diethyl-1,2,4-trithiolane |
chemidplus Chemidplus:0054644289 |
参考资料 References:
| 3,5-diethyl-1,2,4-trithiolane |
NIST化学网络书籍 NIST Chemistry WebBook: | 搜索INCHI |
pubchem(cid) Pubchem (cid): | 520895 |
pubchem(sid) Pubchem (sid): | 135267618 |
信息基 Pherobase: | 视图 View |
其他资料 Other Information:
潜在搅拌机 Potential Blenders and core 组件 components note
潜在用途 Potential Uses:
存在(自然 Occurrence (nature, food, 其他) other): note
同义词 Synonyms:
(+/-)-顺式和反式3 (+/-)-cis- and trans-3,5- | diethyl-1,2,4-trithiolane | (±)- | diethyl-1,2,4-trithiolane | (±)-顺式 -cis+反式3 trans-3,5- | diethyl-1,2,4-trithiolane | 3,5- | diethyl-1,2,4-trithiolane | cis,反式3 trans-3,5- | diethyl-1,2,4-trithiolane | 1,2,4- | trithiolane, 3,5-diethyl- |
文章 Articles:
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