4-戊烯基异硫氰酸酯 4-pentenyl isothiocyanate
5-异硫氰酸根合戊烯-1-烯 5-isothiocyanatopent-1-ene

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    i0444 4-戊-1-基异硫氰酸酯> 95.0%(gc) I0444 4-Penten-1-yl Isothiocyanate >95.0%(GC)
Name:5-异硫氰酸根合戊烯-1-烯 5-isothiocyanatopent-1-ene
CAS号 CAS Number: 18060-79-2Picture of molecule3D/INCHI
FDA UNII:HL8X1CRR9B
nikkaji网站 Nikkaji Web:J45.901A
MDL :mfcd00191527 MFCD00191527
XlogP3-AA:3.10(est) 3.10 (est)
分子量 Molecular Weight:127.20973000
式 Formula:c6 h9 n s C6 H9 N S
核磁共振预测器 NMR Predictor:预测(适用于Chrome或Firefox) Predict (works with chrome or firefox)
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:1893 4-戊烯基异硫氰酸酯 1893 4-pentenyl isothiocyanate
fema号 FEMA Number:4427 4-戊烯基异硫氰酸酯 4-pentenyl isothiocyanate
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):18060-79-2 ; 4-戊烯基异硫氰酸酯 4-pentenyl isothiocyanate
 
物理性质 Physical Properties:
出现 Appearance:无色透明液体(est) colorless clear liquid (est)
化验 Assay: 95.00至100.00 95.00 to 100.00
食品化学品法典列表 Food Chemicals Codex Listed: No
比重 Specific Gravity:0.97000 to 0.97600 @ 20.00 °C.
磅每加仑-(est)。 Pounds per Gallon - (est).: 8.081 to 8.131
折光率 Refractive Index:1.51300 to 1.51900 @ 20.00 °C.
沸点 Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 57.00 to 58.00 °C. @ 3.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:1.087000 毫米汞柱 mm汞 Hg @ 25.00 °C. (est)
闪点 Flash Point: 136.00 °F. tcc TCC ( 57.78 °C. )
logp(o / w) logP (o/w): 3.014(est) 3.014 (est)
溶于 Soluble in:
 alcohol
 水 water, 160毫克/升@ 20°C(实验) 160 mg/L @ 20 °C (exp)
不溶于 Insoluble in:
 水 water
类似物品 Similar Items:note
异硫氰酸烯丙酯 allyl isothiocyanate
异硫氰酸戊酯 amyl isothiocyanate
异硫氰酸异戊酯 isoamyl isothiocyanate
异硫氰酸苄酯 benzyl isothiocyanate
3-丁-1-基异硫氰酸酯 3-buten-1-yl isothiocyanate
异硫氰酸丁酯 butyl isothiocyanate
异硫氰酸异丁酯 isobutyl isothiocyanate
异硫氰酸仲丁酯 sec-butyl isothiocyanate
异硫氰酸乙酯 ethyl isothiocyanate
5-己-1-基异硫氰酸酯 5-hexen-1-yl isothiocyanate
异硫氰酸己酯 hexyl isothiocyanate
异硫氰酸甲酯 methyl isothiocyanate
4-甲基硫代丁基异硫氰酸酯 4-methyl thiobutyl isothiocyanate
6-甲基硫代己基异硫氰酸酯 6-methyl thiohexyl isothiocyanate
5-甲基硫代戊基异硫氰酸酯 5-methyl thiopentyl isothiocyanate
2-苯乙基异硫氰酸酯 2-phenethyl isothiocyanate
异硫氰酸异丙酯 isopropyl isothiocyanate
萝卜异硫氰酸盐 radish isothiocyanateFL
 
感官特性 Organoleptic Properties:
气味类型 Odor Type: mustard
气味强度 Odor Strength:很高 very high ,
建议在0.01%或更少的溶液中闻到 recommend smelling in a 0.01 % solution or less
mustard horseradish
气味描述 Odor Description:at 0.01 % in propylene glycol. 芥末辣根 mustard horseradish
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.
异硫氰酸4-戊-1-酯 isoThiocyanic Acid 4-penten-1-yl Ester
Parchem Parchem
4-戊烯基异硫氰酸酯 4-pentenyl isothiocyanate
Penta International
4-戊烯基异硫氰酸酯 4-pentenyl isothiocyanate
圣克鲁斯生物技术 Santa Cruz Biotechnology
仅供实验/研究使用。 For experimental / research use only.
4-戊-1-基异硫氰酸酯 4-Penten-1-yl Isothiocyanate
TCI AMERICA
仅供实验/研究使用。 For experimental / research use only.
4-戊-1-基异硫氰酸酯> 95.0%(gc) 4-Penten-1-yl Isothiocyanate >95.0%(GC)
 
安全信息 Safety Information:
首选sds SDS : 视图 View
 
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
推荐使用4-戊烯基异硫氰酸酯的用量,最高可达 Recommendation for 4-pentenyl isothiocyanate usage levels up to:
 不用于香水。 not for fragrance use.
 
采用 Use 等级 levels for FEMA GRAS flavoring 物质 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 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 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: 23
点击这里查看出版物23 Click here to view publication 23
 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): 1.0000010.00000
醇饮料 beverages(alcoholic): 1.0000010.00000
早餐麦片 breakfast cereal: --
起司 cheese: 0.500005.00000
口香糖 chewing gum: 5.0000050.00000
调味品/调味品 condiments / relishes: 100.00000700.00000
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: 3.0000030.00000
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: 0.500005.00000
其他谷物 other grains: 0.500002.50000
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: 10.00000100.00000
休闲食品 snack foods: 2.0000020.00000
软糖 soft candy: 3.0000030.00000
汤类 soups: 0.500005.00000
糖替代品 sugar substitutes: --
甜酱 sweet sauces: --
 
安全参考 Safety references:
Epi系统 EPI System: 视图 View
环境诱变信息中央 Env. Mutagen Info. Center:搜索 Search
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 :87436
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1992 UN 1992
德国wgk WGK Germany:3
5-异硫氰酸根合戊烯-1-烯 5-isothiocyanatopent-1-ene
chemidplus Chemidplus:0018060792
 
参考资料 References:
 5-异硫氰酸根合戊烯-1-烯 5-isothiocyanatopent-1-ene
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):87436
pubchem(sid) Pubchem (sid):135044658
风味网 Flavornet:18060-79-2
 
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
CHEMBL:视图 View
hmdb(人类代谢组数据库) HMDB (The Human Metabolome Database):HMDB34300
食物 FooDB:FDB012643
出口关税代码 Export Tariff Code:2930.90.9190
vcf在线 VCF-Online:食品中的挥发性有机化合物 VCF Volatile Compounds in Food
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
果味的 fruity
furfuryl acetate
FL/FR
绿 green
1-
penten-3-ol
FL/FR
辣的 spicy
ethyl vinyl ketone
FL/FR
含硫的 sulfurous
2-
methyl 5-(methyl thio) furan
FL/FR
2-
phen异硫氰酸乙酯 ethyl isothiocyanate
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 alcohol
FL
异 iso
butyl mercaptan
FL
2-
phen异硫氰酸乙酯 ethyl isothiocyanate
FL/FR
胶质的 alliaceous
胶质的 alliaceous
benzyl mercaptan
FL
环戊基 cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
酯化 estery
furfuryl acetate
FL/FR
绿 green
1-
penten-3-ol
FL/FR
发霉的 musty
2-
methyl 5-(methyl thio) furan
FL/FR
洋葱 onion
methyl propyl disulfide
FL
辣的 spicy
ethyl vinyl ketone
FL/FR
含硫的 sulfurous
allyl sulfide
FL
furfuryl methyl sulfide
FL
蔬菜 vegetable
萝卜异硫氰酸盐 radish isothiocyanateFL
FL
 
潜在用途 Potential Uses:
FLwasabi
 
存在(自然 Occurrence (nature, food, 其他) other):note
 白菜叶 cabbage leaf
搜索 Search Trop Picture
 辣根 horseradish root
搜索 Search Trop Picture
 芥末酱芥末酱 mustard brown mustard
搜索 Search Trop Picture
 芥末田芥末 mustard field mustard
搜索 Search Trop Picture
 芥子油 mustard oil
搜索 Search pmc PMC Picture
 芝麻菜 rugula herb
搜索 Search Trop Picture
 芥末植物 wasabi plant
搜索 Search Trop Picture
 
同义词 Synonyms:
4-penten-1-yl isothiocyanate
1-pentene, 5-isothiocyanato-
1-pentene,5-isothiocyanato-
4-pentenyl ester 异硫氰酸 isothiocyanic acid
5-isothiocyanatopent-1-ene
异 isothiocyanic acid 4-penten-1-yl ester
异 isothiocyanic acid pent-4-enyl ester
5-isothiocyano-1-pentene
 

文章 Articles:

已发布 PubMed:评价3-丁烯基的抗菌活性 Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-苯乙基 2-phenylethyl, 和芸苔蔬菜中的异硫氰酸苄酯。 and benzyl isothiocyanate in Brassica vegetables.
已发布 PubMed: 雄性phyllotreta tri striolata( )产生聚集信息素 : 鉴定男性特异性化合物以及与宿主植物挥发物的相互作用。 identification of male-specific compounds and interaction with host plant volatiles.
已发布 PubMed:萝卜的正己烷提取物根通过调节与凋亡途径相关的基因来抑制 癌细胞的增殖并诱导其凋亡。 Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
已发布 PubMed:在埃及生长的一些羊驼种类的化学研究及其抗氧化活性 Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.
已发布 PubMed:蚜虫对宿主和非宿主植物挥发物的行为和电生理反应。 Behavioral and electrophysiological responses of Aphids to host and nonhost plant volatiles.
已发布 PubMed:[油菜籽和油菜籽油中异硫氰酸酯和乙烯基硫代恶唑烷酮的含量]。 [Isothiocyanate and vinyl thio-oxazolidone contents of rape seeds and rape seed oil].
 
笔记 Notes:
芥菜油(油菜籽) Mustard oil from rape (Brassica napus), 棕色 brown mustard (芸苔属 Brassica juncea) and other 十字花科 crucifers. 形成的 Formed from 4-Pentenyl 芥子油苷 glucosinolate LBB30-J
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