(3s (3S,5r 5R,8s)-3 8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2h-azulen-1-one 8-hexahydro-2H-azulen-1-one
(-)-酮 (-)-rotundone

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Name:(3s (3S,5r 5R,8s)-3 8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2h-azulen-1-one 8-hexahydro-2H-azulen-1-one
CAS号 CAS Number: 18374-76-0Picture of molecule3D/INCHI
nikkaji网站 Nikkaji Web:J13.921A
XlogP3-AA: 3.70(估 est)
分子量 Molecular Weight:218.33954000
式 Formula:c15 h22 o C15 H22 O
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:flavor and fragrance 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 "odor"搜索 Search
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美国专利 US Patents:搜索 Search
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pubchem专利 Pubchem Patents:搜索 Search
已发布 PubMed:搜索 Search
NCBI:搜索 Search
fema号 FEMA Number:4867 (3s (3S,5r 5R,8s)-3 8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2h-azulen-1-one 8-hexahydro-2H-azulen-1-one
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
 
物理性质 Physical Properties:
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
溶于 Soluble in:
 水 water, 1.975 mg / l @ 25°c(估 est)
 
感官特性 Organoleptic Properties:
气味类型 Odor Type: woody
气味强度 Odor Strength:高 high ,
建议在1.00%或更少的溶液中闻到 recommend smelling in a 1.00 % solution or less
woody peppery agarwood
气味描述 Odor Description:at 1.00 % in 二丙烯 dipropylene glycol. 木质胡椒沉香 woody peppery agarwood
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:
化学资源协会 Chemical sources Association Inc
需要这个物品来调味/食用吗? Need This Item for Flavor/Food?: 您 You can contact the 化学资源协会 Chemical sources Association Inc
 
安全信息 Safety Information:
 
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: flavor and fragrance agents
IFRA IFRA 码 Code of 实践 Practice 通知 not Notification of the 49th 修正案 Amendment to the IFRA IFRA 码 Code of 实践 Practice
 
采用 Use 等级 水平 levels for FEMA 鹅肝 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 基因 generally 公认的 recognized as 安全 safe (鹅肝 GRAS).
The 专家 Expert 面板 Panel also 发表 publishes 分离 separate 广泛 extensive 评论 reviews of 科学的 scientific information on all FEMA 鹅肝 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: 28
单击此处查看出版物28 Click here to view publication 28
 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: 0.001000.02000
饮料(不含醇) beverages(nonalcoholic): 0.000100.00500
醇饮料 beverages(alcoholic): 0.000100.00500
早餐麦片 breakfast cereal: --
起司 cheese: --
口香糖 chewing gum: 0.001000.02000
调味品/调味品 condiments / relishes: --
糖果烧烤 confectionery froastings: 0.000300.00500
蛋制品 egg products: 0.000300.00500
脂肪/油 fats / oils: 0.020000.20000
鱼产品 fish products: 0.000300.00500
冷冻乳制品 frozen dairy: 0.000200.00300
水果冰 fruit ices: 0.000200.00300
明胶/布丁 gelatins / puddings: 0.000300.00200
砂糖 granulated sugar: --
肉汁 gravies: 0.001000.01000
硬糖 hard candy: 0.001000.01000
仿乳制品 imitation dairy: 0.001000.01000
速溶咖啡/茶 instant coffee / tea: 0.000100.00100
果酱/果冻 jams / jellies: --
肉制品 meat products: --
奶制品 milk products: 0.001000.01000
坚果产品 nut products: 0.001000.01000
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: 0.100001.00000
休闲食品 snack foods: 0.001000.01000
软糖 soft candy: 0.001000.01000
汤类 soups: 0.000100.00200
糖替代品 sugar substitutes: --
甜酱 sweet sauces: 0.001000.01000
 
安全参考 Safety references:
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 :5321003
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:数据 Data
(3s (3S,5r 5R,8s)-3 8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2h-azulen-1-one 8-hexahydro-2H-azulen-1-one
 
参考资料 References:
 (3s (3S,5r 5R,8s)-3 8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2h-azulen-1-one 8-hexahydro-2H-azulen-1-one
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):5321003
pubchem(cas) Pubchem (cas):18374-76-0
 
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
KEGG (GenomeNet):C17501
hmdb(人类代谢组数据库) HMDB (The Human Metabolome Database):HMDB36443
食物 FooDB:FDB015330
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 有力的 Potential 搅拌机 Blenders and core 组件 components note
气味 For Odor
琥珀 amber
肌酸 sarcocaulon mossamedense mossamedense wood resinoid
FR
绿 green
2,5-
dimethyl bicyclo(3.2.1)oct-2-ene
FR
辣的 spicy
agarospirol
FR
白术 atractylis 根 rootoil
FR
4-
carvomenthenol
FL/FR
苦香树 cascarillaoil replacer
FL/FR
mace absolute
FL/FR
mace fragrance
FR
maceoil
FL/FR
myrcene
FR
黑 black
pepperoil
FL/FR
黑 black
pepperoil replacer
FR
用于调味 For Flavor
冷却 cooling
4-
carvomenthenol
FL/FR
辣的 spicy
苦香树 cascarillaoil replacer
FL/FR
mace absolute
FL/FR
maceoil
FL/FR
黑 black
pepperoil
FL/FR
 
潜在用途 Potential Uses:
没找到 None found
 
存在(自然 Occurrence (nature, food, 其他) other):note
 agarwood
搜索 Search pmc PMC Picture
 塞浦路斯油 cypriol oil
搜索 Search Trop Picture
 广香油 patchouli oil
搜索 Search Trop Picture
 黑胡椒粉 pepper black pepper
搜索 Search Trop Picture
 胡椒白胡椒 pepper white pepper
搜索 Search Trop Picture
 葡萄酒 wines
搜索 Search Picture
 
同义词 Synonyms:
1(2H)-azulenone, 3,4,5,6,7,8-六氢-3 8-hexahydro-3,8-二甲基-5-(1-甲基乙烯基)- 8-dimethyl-5-(1-methylethenyl)-, (3s (3S,5r 5R,8S)-
(-)-guaia-1(5),11-dien-2-one
(-)-rotundone
 

文章 Articles:

已发布 PubMed:3-表雄酮的鉴定与表征 Identification and Characterization of 3-epi-Rotundone, 罗丹酮的新型立体异构体 a Novel Stereoisomer of Rotundone, 在几种水果中。 in Several Kinds of Fruits.
已发布 PubMed:稳定同位素稀释法测定柚子皮和果汁中罗丹酮的含量 Quantitation of Rotundone in Grapefruit (Citrus paradisi) Peel and Juice by Stable Isotope Dilution Assay.
已发布 PubMed:藤酮作为几种水果的有效气味活性化合物的鉴定。 Identification of Rotundone as a Potent Odor-Active Compound of Several Kinds of Fruits.
已发布 PubMed: 虹鳟鱼(oncorhynchus 我的吻 mykiss)中香气活性和异味化合物的特征。第二部分 : 一例来自土塘养殖的鱼肉和皮肤。 Case of fish meat and skin from earthen-ponds farming.
已发布 PubMed:设拉子酿酒葡萄不同发育阶段常见和丰富萜烯的比较数据。 Comparison data of common and abundant terpenes at different grape development stages in Shiraz wine grapes.
已发布 PubMed:葡萄中葡萄藤组织中鱼藤酮的分布及相关化合物的可能转移简历。设拉子 Distribution of Rotundone and Possible Translocation of Related Compounds Amongst Grapevine Tissues in Vitis vinifera L. cv. Shiraz.
已发布 PubMed:塞浦路斯油的成分(cyperus scariosus r.br.) Constituents of Cypriol Oil (Cyperus scariosus R.Br.): 含n的分子和主要香气成分。 N-Containing Molecules and Key Aroma Components.
已发布 PubMed:使用固相萃取和气相色谱-四极杆质谱法在ngl(-1)浓度下定量葡萄酒中松果酮的简单策略。发生在不同品种的辛辣葡萄酒中。 Straightforward strategy for quantifying rotundone in wine at ngL(-1) level using solid-phase extraction and gas chromatography-quadrupole mass spectrometry. Occurrence in different varieties of spicy wines.
已发布 PubMed:香倍半萜香酮是乳香sa香中的微量成分。 Fragrant Sesquiterpene Ketones as Trace Constituents in Frankincense Volatile Oil of Boswellia sacra.
已发布 PubMed:葡萄发育过程中萜的进化简历。西拉子葡萄。 Terpene evolution during the development of Vitis vinifera L. cv. Shiraz grapes.
已发布 PubMed:葡萄酒中黑胡椒香气背后的关键酶。 Key enzymes behind black pepper aroma in wines.
已发布 PubMed:葡萄(葡萄)中的细胞色素p450 cyp71be5催化形成辛辣香气化合物(-)-酮。 Cytochrome P450 CYP71BE5 in grapevine (Vitis vinifera) catalyzes the formation of the spicy aroma compound (-)-rotundone.
已发布 PubMed:新发现的葡萄tps24基因的等位基因中的两个关键多态性与鱼藤酮前体α-番石榴烯的产生有关。 Two key polymorphisms in a newly discovered allele of the Vitis vinifera TPS24 gene are responsible for the production of the rotundone precursor α-guaiene.
已发布 PubMed:环境因素和季节影响葡萄藤中鱼藤酮的浓度。简历。设拉子葡萄酒。 Environmental Factors and Seasonality Affect the Concentration of Rotundone in Vitis vinifera L. cv. Shiraz Wine.
已发布 PubMed:碳酸盐和葡萄酒的复合物香气 Carbocations and the Complex Flavor and Bouquet of Wine: 葡萄酒中萜烯生物合成的机理。 Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes.
已发布 PubMed:葡萄园内 Within-Vineyard, 葡萄藤内 Within-Vine, 葡萄浆果中鱼藤酮浓度的束缚和束内变异性。简历。设拉子 and Within-Bunch Variability of the Rotundone Concentration in Berries of Vitis vinifera L. cv. Shiraz.
已发布 PubMed:设拉子 Shiraz 葡萄酒 wines 制作 made from grape berries (葡萄 Vitis vinifera) 延迟 delayed in 成熟 ripening by by plant 成长 growth 调节器 regulator 治疗 treatment 有 have 高架 elevated rotundone 浓度 concentrations and "pepper" flavor and 香气 aroma.
已发布 PubMed:空气氧化条件下衍生自α-番石榴烯和α-戊烯的胡椒和木质倍半萜的形成的比较。 Comparison of the formation of peppery and woody sesquiterpenes derived from α-guaiene and α-bulnesene under aerial oxidative conditions.
已发布 PubMed:α-番石榴烯自氧化的机理研究 Mechanistic studies on the autoxidation of α-guaiene: 倍半萜下游产物的结构多样性。 structural diversity of the sesquiterpenoid downstream products.
已发布 PubMed:胡椒香气化合物的生产 Production of the pepper aroma compound, (-)-酮 (-)-rotundone, 通过α-番石榴烯的空气氧化。 by aerial oxidation of α-guaiene.
已发布 PubMed:西拉子酒中主要香气成分的定量表征 Characterization of the key aroma compounds in Shiraz wine by quantitation, 香气重构 aroma reconstitution, 和遗漏研究。 and omission studies.
已发布 PubMed:葡萄的葡萄浆果外果皮中倍半萜的生物合成。 Biosynthesis of sesquiterpenes in grape berry exocarp of Vitis vinifera L.: 法呢基二磷酸前体从质体转运到细胞质的证据。 evidence for a transport of farnesyl diphosphate precursors from plastids to the cytosol.
已发布 PubMed:葡萄园和发酵研究,以阐明1的起源 Vineyard and fermentation studies to elucidate the origin of 1,澳大利亚红酒中的8-cineole。 8-cineole in Australian red wine.
已发布 PubMed:关系 Relationship of 变化 changes in rotundone content 中 during grape 成熟 ripening and 酿酒 winemaking to 操纵 manipulation of the 'peppery' 字符 character of wine.
已发布 PubMed:使用固相微萃取气相色谱/串联质谱法对红葡萄酒和白葡萄酒中低于阈值水平的鱼藤酮进行有效分析。 Effective analysis of rotundone at below-threshold levels in red and white wines using solid-phase microextraction gas chromatography/tandem mass spectrometry.
已发布 PubMed:鱼藤酮的测定 Determination of rotundone, 胡椒香气冲击化合物 the pepper aroma impact compound, 在葡萄和葡萄酒中。 in grapes and wine.
已发布 PubMed:从酒到胡椒 From wine to pepper: rotundone, 晦涩的倍半萜 an obscure sesquiterpene, 是有效的辛辣香气化合物。 is a potent spicy aroma compound.
 
笔记 Notes:
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