isosafrole

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    120-58-1异黄酮95% 120-58-1 Isosafrole 95%
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    产品 Product(s):
    09-63000异黄酮 09-63000 ISOSAFROLE
Name:5-丙-1-烯基-1 5-prop-1-enyl-1,3-苯并二恶唑 3-benzodioxole
CAS号 CAS Number: 120-58-1Picture of molecule3D/INCHI
其他 Other:191281-03-5
echa ECHA einecs Ein INECS - REACH 预注册 Pre-Reg:204-410-2
贝尔斯坦数 Beilstein Number:0082640
MDL :mfcd00005838 MFCD00005838
XlogP3:3.10(est) 3.10 (est)
分子量 Molecular Weight:162.18810000
式 Formula:c10 h10 o2 C10 H10 O2
生物活性总结 BioActivity Summary:清单 listing
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:natural substances and extractives
 
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
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
已发布 PubMed:搜索 Search
NCBI:搜索 Search
 
物理性质 Physical Properties:
出现 Appearance:无色至浅黄澄清液体(est) colorless to pale yellow 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
熔点 Melting Point: 6.75 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 127.00 to 128.00 °C. @ 15.00 mm 汞 Hg
沸点 Boiling Point: 254.00 to 255.00 °C. @ 760.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:0.025000 mmhg(est) 0.025000 mmHg (est)
闪点 Flash Point: 230.00 °F. tcc TCC ( 110.10 °C. ) (est)
logp(o / w) logP (o/w): 3.344(est) 3.344 (est)
溶于 Soluble in:
 alcohol
 水 water, 88.68 mg / l @ 25°c(est) 88.68 mg/L @ 25 °C (est)
不溶于 Insoluble in:
 水 water
 
感官特性 Organoleptic Properties:
气味类型 Odor Type: spicy
气味强度 Odor Strength:介质 medium ,
建议在10.00%或更少的溶液中闻到 recommend smelling in a 10.00 % solution or less
sweet sassafrass spicy
气味描述 Odor Description:at 10.00 % in 二丙烯 dipropylene glycol. 甜鱼辣 sweet sassafrass spicy
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.
异黄酮95% Isosafrole 95%
Penta International
ISOSAFROLE
轮回菲希特纳 Reincke & Fichtner
异黄酮 isoSafrole
西格玛·奥尔德里奇 Sigma-Aldrich: 奥尔德里奇 Aldrich
仅供实验/研究使用。 For experimental / research use only.
顺式与反式的异黄酮混合物 isoSafrole mixture of cis and trans
 
安全信息 Safety Information:
首选SDS Preferred 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.
类经验 Human Experience:
8%的溶液 8 % solution: 没有刺激或过敏。 no irritation or sensitization.
口服/肠胃外毒性 Oral/Parenteral Toxicity:
腹腔内小鼠 intraperitoneal-老鼠 mouse LD50 324 mg/kg
Yakugaku 扎什 Zasshi. 日志 Journal of 药店 Pharmacy. 卷 Vol. 104, pg。 793 Pg. 793, 1984.

老鼠 口服 oral-老鼠 mouse LD50 2470 mg/kg
行为的 BEHAVIORAL: 嗜睡(一般抑郁活动) SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) 行为的 BEHAVIORAL: ATAXIA
Food and 化妆品 Cosmetics Toxicology. 卷 Vol. 2, pg。 327 Pg. 327, 1964.

静脉兔子 intravenous-rabbit ldlo LDLo 300 mg/kg
Archiv 富尔 fuer 实验 Experimentelle 病理学 Pathologie und 药理学 Pharmakologie. 卷 Vol. 35, pg。 342 Pg. 342, 1895.

口鼠 口服 oral-rat LD50 1340 mg/kg
Toxicology and 已应用 Applied 药理 Pharmacology. 卷 Vol. 7, pg。 18岁 Pg. 18, 1965.

皮肤毒性 Dermal Toxicity:
皮下老鼠 subcutaneous-老鼠 mouse LD50 1030 mg/kg
行为的 BEHAVIORAL: 抽搐 Con ONVULSIon ONS OR 影响 EFFECT on ON 发作 SEIZURE THRESHOLD
札幌 Sapporo igaku Igaku 扎什 Zasshi. 札幌 Sapporo 医疗 Medical 日志 Journal. 卷 Vol. 3, pg。 73 Pg. 73, 1952.

吸入毒性 Inhalation Toxicity:
未定 Not determined
 
使用安全信息 Safety in Use Information:
类别 Category:
natural substances and extractives
关键影响 IFRA Critical Effect:
致癌性 Carcinogenicity
IFRA fragrance 材料 material 规格 specification:
 黄樟素本身不应用作香料成分;含精油 Safrole as such should not be used as a fragrance ingredient; essential oils containing 不可将黄樟脑的使用浓度降至超过黄樟脑的总浓度 safrole should not be used at a level such that the total concentration of safrole exceeds 消费品中占0.01%。高黄樟脑含量的精油的例子有 0.01% in consumer products. Examples of essential oils with a high safrole content are 木油(s木和e木) Sassafras oil (Sassafras officinale Nees& Eberm.), ocotea香茅油(ocotea Ocotea Cymbarum oil (Ocotea 普雷蒂奥萨 pretiosa metz)和某些品质的樟脑油。 紫杉醇的总浓度 The total concentration of safrole, 异黄樟脑和二氢黄樟脑不应超过 isosafrole and dihydrosafrole should not exceed 消费品中占0.01%。 0.01% in consumer products. 这些建议是基于科学委员会的结论 These recommendations are based on the conclusions of the Scientific Committee on 脑电对黄樟脑的美容以及这些生物活性的相似性 Cosmetology of the EEC on safrole and on the similarity of the biological activity of these 物质(欧洲共同体美容科学委员会 substances (Scientific Committee of Cosmetology of the EEC, 意见达成 opinion reached on 9月2日 September 2, 1980;与eec EEC委员会env / 521/79和iarc通信 专论卷10 Monograph Vol. 10, 1976, 231-244).
 查看ifra标准 View the IFRA Standard
视图 View IFRA 标准 标准 Standards 图书馆 Library for 完成 complete information.
请 Please 评论 review 修正案 Amendment 49 IFRA 文件资料 documentation for 完成 complete information.
成品中的ifra限制极限(%) IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
1类 Category 1: 产品涂在嘴唇上 Products applied to the lips
见笔记框% See notebox %
2类 Category 2: 产品应用于腋窝 Products applied to the axillae
见笔记框% See notebox %
3类 Category 3: 用指尖涂抹在面部/身体上的产品 Products applied to the face/body using fingertips
见笔记框% See notebox %
4类 Category 4: 与精美香水有关的产品 Products related to fine fragrance
见笔记框% See notebox %
 5类 Category 5: 用手(手掌)涂在脸部和身体上的产品 Products applied to the face and body using the hands (palms), 主要是免修 primarily leave-on
5a类 Category 5A: 用手(手掌)涂抹在身体上的润肤露产品 Body lotion products applied to the body using the hands (palms), 主要是免修 primarily leave-on
见笔记框% See notebox %
5b类 Category 5B: 用手(手掌)涂在脸上的面部保湿产品 Face moisturizer products applied to the face using the hands (palms), 主要是免修 primarily leave-on
见笔记框% See notebox %
5c类 Category 5C: 使用手(手掌)涂在手上的护手霜产品 Hand cream products applied to the hands using the hands (palms), 主要是免修 primarily leave-on
见笔记框% See notebox %
5d类别 Category 5D: 婴儿面霜 Baby Creams, 婴儿油和婴儿滑石粉 baby Oils and baby talc
见笔记框% See notebox %
6类 Category 6: 口腔和嘴唇暴露的产品 Products with oral and lip exposure
见笔记框% See notebox %
 7类 Category 7: 用手接触头发的产品 Products applied to the hair with some hand contact
7a类 Category 7A: 用手接触头发上的可冲洗产品 Rinse-off products applied to the hair with some hand contact
见笔记框% See notebox %
7b类 Category 7B: 用手接触头发上的免洗产品 Leave-on products applied to the hair with some hand contact
见笔记框% See notebox %
8类 Category 8: 肛门 器暴露严重的产品 Products with significant anogenital exposure
见笔记框% See notebox %
9类 Category 9: 身体和手部暴露的产品 Products with body and hand exposure, 主要冲洗掉 primarily rinse off
见笔记框% See notebox %
 10类 Category 10: 大部分用手接触的家用护理产品 Household care products with mostly hand contact
10a类 Category 10A: 家居护理,不包括气雾剂产品(不包括气雾剂/喷雾产品) Household care excluding aerosol products (excluding aerosol/spray products)
见笔记框% See notebox %
10b类 Category 10B: 家用喷雾剂 Household aerosol/spray products
见笔记框% See notebox %
 11类 Category 11: 预期与皮肤接触的产品,但从惰性底物到皮肤的香气转移最少 Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
11a类 Category 11A: 具有预期的皮肤接触特性的产品,但在不暴露于紫外线的情况下,香料从惰性底物到皮肤的转移最少 Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
见笔记框% See notebox %
类别11b Category 11B: 预期与皮肤接触的产品,但从惰性底物到皮肤的香料转移最少,可能会暴露于紫外线 Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
见笔记框% See notebox %
类别12 Category 12: 非直接接触皮肤的产品 Products not intended for direct skin contact, 转移至皮肤的微不足道或微不足道 minimal or insignificant transfer to skin
见笔记框 See notebox
 笔记 Notes:
ifra风味要求 IFRA FLAVOR REQUIREMENTS:

由于在第1类和第6类产品中使用时可能会摄入少量的香料成分 Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, 这些材料不仅必须符合ifra标准,而且还必须作为爱奥菲 iofi行为准则(www.爱奥菲 iofi.org)所定义的调味成分被认为是安全的。有关更多详细信息,请参见有关使用ifra标准的指南的第1章。

香水成分限制-便签盒 Fragrance ingredient restriction - Note box
根据已确定的该物质在市售天然来源(如精油)中的最大浓度水平 On the basis of established maximum concentration levels of this substance in commercially available natural sources (like essential oils, 摘录和精华/精粹/精萃) extracts and absolutes), 只要使用黄樟脑的总浓度认为使用这些油和提取物接触该物质是可以接受的 exposure to this substance from the use of these oils and extracts is regarded acceptable as long as the total concentration of Safrole, 最终消费品中的异黄樟脑和二氢黄樟脑不超过0.01%。 Isosafrole and Dihydrosafrole in the finished consumer product does not exceed 0.01%.
 
异黄酮风味使用水平的推荐值 Recommendation for isosafrole flavor usage levels up to:
 不用于调味料。 not for flavor use.
 
安全参考 Safety references:
Epi系统 EPI System: 视图 View
nlm NLM有害物质数据库 :搜索 Search
化学致癌研究信息系统 Chemical Carcinogenesis Research Information System:搜索 Search
癌症引文 Cancer Citations:搜索 Search
毒理学引文 Toxicology Citations:搜索 Search
致癌力数据库 Carcinogenic Potency Database:搜索 Search
epa遗传毒理学 EPA GENetic TOXicology:搜索 Search
环境诱变信息中央 Env. Mutagen Info. Center:搜索 Search
EPA物质注册服务(tsca TSCA) :120-58-1
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 :8439
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:数据 Data
德国wgk WGK Germany:3
5-丙-1-烯基-1 5-prop-1-enyl-1,3-苯并二恶唑 3-benzodioxole
chemidplus Chemidplus:0000120581
epa / noaa客串 EPA/NOAA CAMEO:有害物质 hazardous materials
技术 RTECS:适用于CAS#120-58-1的da5950000 DA5950000 for cas# 120-58-1
 
参考资料 References:
 5-丙-1-烯基-1 5-prop-1-enyl-1,3-苯并二恶唑 3-benzodioxole
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
加拿大国内分公司。清单 Canada Domestic Sub. List:120-58-1
pubchem(cid) Pubchem (cid):8439
pubchem(sid) Pubchem (sid):134975200
 
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
CHEMBL:视图 View
hmdb(人类代谢组数据库) HMDB (The Human Metabolome Database):HMDB02333
食物 FooDB:FDB012296
出口关税代码 Export Tariff Code:2932.91.0000
雾度图 Haz-Map:视图 View
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
维基百科 Wikipedia:视图 View
rsc学习化学 RSC Learn Chemistry:视图 View
 
潜在搅拌机 Potential Blenders and 核心 core components note
没找到 None found
 
潜在用途 Potential Uses:
FR根 root 啤酒 beer
FLsarsaparilla
FRsassafras
 
存在(自然 Occurrence (nature, food, 其他) other):note
 咖喱叶 curry leaf
搜索 Search Trop Picture
 枸杞油 illicium religiosum oil
搜索 Search Trop Picture
 
同义词 Synonyms:
1-allyl,3,4-亚甲二氧基 methylenedioxybenzene
 苯 benzene, 1,2-(亚甲二氧基 methylenedioxy)-4-propenyl-
1,3-benzodioxole, 5-(1-propen-1-yl)-
1,3-benzodioxole, 5-(1-propenyl)-
3,4-(亚甲二氧基 methylenedioxy)-1-propenyl苯 benzene
1,2-(亚甲二氧基 methylenedioxy)-4-propenyl苯 benzene
3,4-(亚甲二氧基 methylenedioxy)allyl苯 benzene
3,4-亚甲二氧基 methylenedioxy-1-propenylbenzene
1,2-亚甲二氧基 methylenedioxy-4-propenyl苯 benzene
5-prop-1-en-1-yl-1,3-苯并二恶唑 3-benzodioxole
5-prop-1-enyl-1,3-苯并二恶唑 3-benzodioxole
5-propen-1-yl]-1,3-苯并二恶唑 3-benzodioxole
5-(1-propenyl)-1,3-苯并二恶唑 3-benzodioxole
(5-propenyl)-苯并 -benzo[1,3]dioxole
4-propenyl-1,2-亚甲二氧基苯 亚甲二氧基 methylenedioxy苯 benzene
4-丙烯基儿茶酚 propenyl儿茶酚 catechol methylene ether
 
 
笔记 Notes:
分离。从咖喱叶(murraya koenigii)和八角茴香油(illicium religiosum)提取 Isol. from leaves of the curryleaf (Murraya koenigii) and from star anise oil (Illicium religiosum) it It is a 前体 precursor in the 合成 synthesis of the 杀虫剂 insecticide 增效剂 synergist 胡椒基 piperonyl 丁氧化物 but butoxide and the 休闲的 recreational 药品 drug mdma MDMA ("狂喜 Ecstacy."); 紫杉醇 Safrole is a natural plant 组分 constituent, 在树油和某些其他精油中发现。它是化合物的亚甲二氧基苯的成员 found in oil of sassafras and certain other essential oils. It is a member of the methylenedioxybenzene group of compounds, 其中许多(例如胡椒基丁醚)被广泛用作杀虫剂增效剂。 类接触黄樟脑的主要来源是通过食用香料 many of which (e.g. piperonyl butoxide) are extensively used as insecticide synergists. A major source of human exposure to safrole is through consumption of spices, 如肉豆蔻 such as nutmeg, 肉桂和黑胡椒 cinnamon and black pepper, 其中黄樟脑是成分。根啤酒中也存在黄樟脑 in which safrole is a constituent. Safrole is also present in root beer, 并已被用作口香糖的添加剂 and has been used as an additive in chewing gum, 牙膏 toothpaste, 肥皂和某些药物制剂。紫杉醇是一种弱肝癌致癌物,无论是ally1部分还是亚甲二氧基都令 关注 soaps and certain pharmaceutical preparations. Safrole is a weak hepatocarcinogen and it is a matter of considerable interest whether the ally1 moiety or the methylenedioxy group, 或两者 or both, are 涉及 involved in the 机制 mechanism of its 致癌作用 carcinogenesis. 紫杉醇 Safrole is 广泛地 extensively 代谢 metabolized, 产生大量的代谢产物。代谢本质上涉及两个主要途径 giving rise to a large number of metabolites. Metabolism involves essentially two major routes, ally1侧链的氧化 oxidation of the ally1 side chain, and 氧化 oxidation of the 亚甲二氧基 methylenedioxy group with 随后的 subsequent 分裂 cleavage to form the 儿茶酚 catechol. 紫杉醇 Safrole 经历 undergoes 氧化 oxidation of the 盟友 allylic group to 让 yield the 2, 3-epoxide (safrole epoxide). The 二氢dihydrodiol is one of the metabolites of safrole, and 想必 presumably 出现 a上升 rises from the 水合 hydration of the 2, 3-epoxide. The 主要 principal 路线 route of 代谢 metabolism of safrole is 通过 through 分裂 cleavage of the 亚甲二氧基 methylenedioxy group, 主要代谢产物是烯丙基邻苯二酚及其异构体 the major metabolites being allylcatechol and its isomer, 丙烯基儿茶酚。丁香酚及其异构体异甲氧基-2-羟基-4-烯丙基苯在大鼠中被检测为次要代谢产物 propenylcatechol. Eugenol and its isomer I-methoxy- 2-hydroxy-4-allylbenzene have been detected as minor metabolites in the rat, 鼠标和 。 (pmid mouse and man. (PMID: 6719936);紫杉醇 6719936); Safrole, 又称sh草 also known as shikimol, 是无色或淡黄油状液体。它通常是从assa树植物的根皮或果实中提取的,形式为树油 is a colorless or slightly yellow oily liquid. It is typically extracted from the root-bark or the fruit of sassafras plants in the form of sassafras oil, 或由其他相关的亚甲二氧基化合物合成。它是棕色樟脑油的主要成分 or synthesized from other related methylenedioxy compounds. It is the principal component of brown camphor oil, 并在各种植物中少量发现 and is found in small amounts in a wide variety of plants, 它起天然杀虫剂的作用。燕麦茶汁[需要验证] where it functions as a natural pesticide. The Ocotea cymbarum[verification needed] oil made of the Ocotea pretiosa[verification needed], 巴西生长的植物 a plant growing in Brazil, 和al油制成的木 and sassafras oil made of Sassafras albidum, 北美东部生长的树 a tree growing in eastern North America, are the 主要 main natural 资料来源 sources for safrole. it It 已 has a 特性 characteristic "糖果店 candy-shop" aroma.
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