4,5-辛烷二酮 5-octane dione
4,5-octanedione

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    5455-24-3 4,5-辛二酮95% 5-Octanedione 95%
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Name:octane-4,5-dione
CAS号 CAS Number: 5455-24-3Picture of molecule3D/INCHI
FDA UNII:9OCI30QIY0
nikkaji网站 Nikkaji Web:J110.624D
代号 CoE Number:2141
XlogP3-AA: 1.20(估 est)
分子量 Molecular Weight:142.19798000
式 Formula:c8 h14 o2 C8 H14 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: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
已发布 PubMed:搜索 Search
NCBI:搜索 Search
jecfa食品调味料 JECFA Food Flavoring:2037 4,5-octanedione
Flavis号码 FLAVIS Number:07.071(旧) 07.071 (Old)
dg sante食品调味料 DG SANTE Food Flavourings:07.071辛烷-4 07.071 octane-4,5-dione
fema号 FEMA Number:4533 4,5-octanedione
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):5455-24-3 ; 4,5-辛二酮 5-OCTANEDIONE
 
物理性质 Physical Properties:
出现 Appearance: 黄透明液体(估 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:0.90700 to 0.91300 @ 25.00 °C.
磅每加仑-(估 est)。 : 7.547 to 7.597
折光率 Refractive Index:1.41500 to 1.42100 @ 20.00 °C.
沸点 Boiling Point: 168.00 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 68.00 to 70.00 °C. @ 20.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:1.654000 毫米汞柱 mm汞 Hg @ 25.00 °C. (估 est)
闪点 Flash Point: 133.00 °F. tcc TCC ( 56.11 °C. )
logp(o / w) logP (o/w): 0.698(估 est)
溶于 Soluble in:
 alcohol
 水 water, 略 slightly
 水 water, 2.384e + 004 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: fatty
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
fatty buttery creamy
气味描述 Odor Description:at 1.00 % in propylene glycol. 脂肪奶油 fatty buttery creamy
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.
4,5-辛二酮95% 5-Octanedione 95%
Parchem Parchem
4,5-辛烷二酮 5-octane dione
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: flavoring agents
推荐4 Recommendation for 4,5-辛烷二酮的使用量高达 5-octane dione usage levels up to:
 不用于香水。 not for fragrance use.
 
最大化源自调查的每日摄入量(msdi-eu) Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012(微克/ 均/天) 0.0012 (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): 1600(微克/ /天) 1600 (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: 24
点击这里查看出版物24 Click here to view publication 24
 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: 0.010001.00000
饮料(不含醇) beverages(nonalcoholic): --
醇饮料 beverages(alcoholic): --
早餐麦片 breakfast cereal: --
起司 cheese: --
口香糖 chewing gum: --
调味品/调味品 condiments / relishes: --
糖果烧烤 confectionery froastings: --
蛋制品 egg products: --
脂肪/油 fats / oils: 0.010001.00000
鱼产品 fish products: --
冷冻乳制品 frozen dairy: --
水果冰 fruit ices: --
明胶/布丁 gelatins / puddings: 0.010001.00000
砂糖 granulated sugar: --
肉汁 gravies: --
硬糖 hard candy: 0.010001.00000
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: --
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: 0.010001.00000
软糖 soft candy: --
汤类 soups: --
糖替代品 sugar substitutes: --
甜酱 sweet sauces: --
 
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): 3.0000015.00000
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): 2.0000010.00000
食用冰 Edible ices, 包括果子露和果汁冰糕(03.0) including sherbet and sorbet (03.0): 3.0000015.00000
加工水果(04.1) Processed fruit (04.1): 2.0000010.00000
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): 4.0000020.00000
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): 2.0000010.00000
烘焙用具(07.0) Bakery wares (07.0): 5.0000025.00000
肉和肉制品 Meat and meat products, 包括家禽和野味(08.0) including poultry and game (08.0): 1.000005.00000
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) : 1.000005.00000
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): 2.0000010.00000
用于特定营养用途的食品(13.0) Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
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): 2.0000010.00000
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): 4.0000020.00000
即食美味(15.0) Ready-to-eat savouries (15.0): 5.0000025.00000
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): 2.0000010.00000
 
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...

欧洲食品安全局(efsa EFSA)参考 :

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, 与调味剂组评估11(fge.11)有关的与食品(afc)接触的加工助剂和材料 processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): 脂肪族二醇 Aliphatic dialcohols, diketones, and 羟基酮 hydroxyketones from chemical group 10 (佣金 Commission 规 Regulation (ec EC) No 1565/2000 of 18 July 2000)
视图 View page or 视图 View pdf

调味组评估11 Flavouring Group Evaluation 11, 版本1(fge.11rev1)-脂肪族二醇 Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, 和第10类化学成分中的羟基酮-食品添加剂专家组的科学观点 and hydroxyketones from chemical group 10 - Scientific Opinion of the 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)
视图 View page or 视图 View pdf

调味品组评价的科学见解11 Scientific Opinion on Flavouring Group Evaluation 11, 版本2(fge.11rev2) Revision 2 (FGE.11Rev2): 脂肪族二醇 Aliphatic dialcohols, diketones, and 羟基酮 hydroxyketones from chemical 团体 groups 8 and 10
视图 View page or 视图 View pdf

调味品组评价的科学见解11 Scientific Opinion on Flavouring Group Evaluation 11, 版本3(fge.11rev3) Revision 3 (FGE.11Rev3): 脂肪族二醇 Aliphatic dialcohols, diketones, and 羟基酮 hydroxyketones from chemical 团体 groups 8 and 10
视图 View page or 视图 View pdf

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 :138508
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data
octane-4,5-dione
chemidplus Chemidplus:0005455243
 
参考资料 References:
 octane-4,5-dione
NIST化学网络书籍 NIST Chemistry WebBook: 搜索INCHI
pubchem(cid) Pubchem (cid):138508
pubchem(sid) Pubchem (sid):135094559
 
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):搜索 Search
化学蜘蛛 ChemSpider:视图 View
o FAO:4,5-辛二酮 5-OCTANEDIONE
 
潜在搅拌机 Potential Blenders and core 组件 components note
气味 For Odor
面包 bready
咖啡 coffee furanone
FL/FR
buttery
acetoin dimer
FL/FR
acetoin propylene glycol acetal
FL/FR
acetyl isobutyryl
FL/FR
fatty
butter 估 esters
FL/FR
7-
decen-4-olide
FL/FR
花的 floral
benzyl lactate
FL/FR
果味的 fruity
gamma-
decalactone
FL/FR
(S)-delta-
decalactone
FL/FR
2-
methyl butyl butyrate
FL/FR
肥皂的 soapy
ethyl undecanoate
FL/FR
蜡状的 waxy
delta-
tetradecalactone
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
benzyl lactate
FL/FR
(S)-delta-
decalactone
FL/FR
7-
decen-4-olide
FL/FR
buttery
buttery
acetoin propylene glycol acetal
FL/FR
diacetyl
FL
creamy
acetyl isobutyryl
FL/FR
butter 估 esters
FL/FR
乳业 dairy
acetoin dimer
FL/FR
果味的 fruity
gamma-
decalactone
FL/FR
2-
methyl butyl butyrate
FL/FR
herbal
5-
hydroxymethyl furfural
FL
坚果 nutty
咖啡 coffee furanone
FL/FR
蜡状的 waxy
ethyl undecanoate
FL/FR
delta-
tetradecalactone
FL/FR
 
潜在用途 Potential Uses:
没找到 None found
 
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:
 bibutyryl
4,5-octadione
 octane-4,5-dione
N-octane-4,5-dione
4,5-octanedione
 
 
笔记 Notes:
没找到 None found
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