己酸2-甲基丁酯 2-methyl butyl hexanoate
hexanoic acid, 2-甲基丁酯 2-methylbutyl ester

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    己酸2-丁酯甲酯 METHYL 2 BUTYL CAPROATE
Name:己酸2-甲基丁酯 2-methyl butyl hexanoate
CAS号 CAS Number: 2601-13-0Picture of molecule3D/INCHI
ECHA EINECS - REACH 预注册 Pre-Reg:220-005-3
nikkaji网站 Nikkaji Web:J99.516I
代号 CoE Number:10768
XlogP3-AA:3.70(est) 3.70 (est)
分子量 Molecular Weight:186.29474000
式 Formula:c11 h22 o2 C11 H22 O2
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:
消旋剂。 Racemate.
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
Flavis号码 FLAVIS Number:09.662(旧) 09.662 (Old)
dg sante食品调味料 DG SANTE Food Flavourings:09.662己酸2-甲基丁酯 09.662 2-methylbutyl hexanoate
 
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:0.85600 to 0.86200 @ 25.00 °C.
磅每加仑-(est)。 Pounds per Gallon - (est).: 7.123 to 7.173
折光率 Refractive Index:1.41700 to 1.42300 @ 20.00 °C.
沸点 Boiling Point: 211.00 to 213.00 °C. @ 760.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:0.158000 毫米汞柱 mm汞 Hg @ 25.00 °C. (est)
闪点 Flash Point: 181.00 °F. tcc TCC ( 82.78 °C. )
logp(o / w) logP (o/w): 4.196(est) 4.196 (est)
溶于 Soluble in:
 alcohol
 水 water, 12.56 mg / l @ 25°C(est) 12.56 mg/L @ 25 °C (est)
不溶于 Insoluble in:
 水 water
类似物品 Similar Items:note
己酸烯丙酯 allyl hexanoate
硫代己酸烯丙酯 allyl thiohexanoate
己酸戊酯 amyl hexanoate
己酸异戊酯 isoamyl hexanoate
对茴香酸己酯 para-anisyl hexanoate
己酸苄酯 benzyl hexanoate
己酸丁酯 butyl hexanoate
己酸异丁酯 isobutyl hexanoate
己酸仲丁酯 sec-butyl hexanoate
肉桂酸cinnamyl hexanoate
己酸香茅酯 citronellyl hexanoate
己酸间甲苯酯 meta-cresyl hexanoate
对甲酚己酸酯 para-cresyl hexanoate
己酸环己酯 cyclohexyl hexanoate
己酸癸酯 decyl hexanoate
己基二甲基苄基己酸酯 dimethyl benzyl carbinyl hexanoate
2-乙酰基己酸乙酯 ethyl 2-acetyl hexanoate
己酸乙酯 ethyl hexanoate
己酸糠酯 furfuryl hexanoate
香叶酸香叶酯 geranyl hexanoate
己酸庚酯 heptyl hexanoate
己酸仲庚酯 sec-heptyl hexanoate
(e)-3-己烯-1-基己酸酯 (E)-3-hexen-1-yl hexanoate
(e)-2-己烯-1-基己酸酯 (E)-2-hexen-1-yl hexanoate
(z)-3-己烯-1-基己酸酯 (Z)-3-hexen-1-yl hexanoate
己酸己酯 hexyl hexanoate
己酸芳基酯 linalyl hexanoate
己酸薄荷酯 menthyl hexanoate
己酸3-巯基己酯 3-mercaptohexyl hexanoate
己酸甲酯 methyl hexanoate
硫代己酸甲酯 methyl thiohexanoate
己酸橙花酯 neryl hexanoate
己酸辛酯 octyl hexanoate
(z)-2-戊烯-1-基己酸酯 (Z)-2-penten-1-yl hexanoate
己酸苯乙酯 phenethyl hexanoate
己酸3-苯基丙酯 3-phenyl propyl hexanoate
异戊酸异戊酯 prenyl hexanoate
己酸丙酯 propyl hexanoate
己酸异丙酯 isopropyl hexanoate
己酸硫酯 sulfuryl hexanoate
 
感官特性 Organoleptic Properties:
气味描述 Odor Description:空灵的 ethereal
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:
Advanced Biotech
己酸2-甲基丁酯天然 2-METHYL BUTYL CAPROATE NATURAL
BOC Sciences
仅供实验/研究使用。 For experimental / research use only.
己酸2-甲基丁酯 2-methyl butyl hexanoate
格劳芳香剂 Grau Aromatics
己二酸二丁酯(己二酸二丁酯) METHYL-2-BUTYL-CAPROATE (METHYL-2-BUTYLHEXANOATE)
ni NI, 犹太洁食 Kosher
井上香水 Inoue Perfumery
己酸2-甲基丁酯 2-methyl butyl hexanoate
M&U International
t己酸2-甲基丁酯 NAT. 2-METHYLBUTYL HEXANOATE
SRS Aromatics
己酸2-丁酯甲酯 METHYL 2 BUTYL CAPROATE
 
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.
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
己酸2-甲基丁酯用量建议 Recommendation for 2-methyl butyl hexanoate 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): 0.49(微克/ 均/天) 0.49 (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): 3900(微克/ /天) 3900 (μg/person/day)
关注点 Threshold of Concern:1800(微克/ /天) 1800 (μg/person/day)
结构类 Structure Class: I
 
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 行业 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): 7.0000035.00000
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): 5.0000025.00000
食用冰 Edible ices, 包括果子露和果汁冰糕(03.0) including sherbet and sorbet (03.0): 10.0000050.00000
加工水果(04.1) Processed fruit (04.1): 7.0000035.00000
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): 10.0000050.00000
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): 5.0000025.00000
烘焙用具(07.0) Bakery wares (07.0): 10.0000050.00000
肉和肉制品 Meat and meat products, 包括家禽和野味(08.0) including poultry and game (08.0): 2.0000010.00000
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) : 2.0000010.00000
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): 5.0000025.00000
用于特定营养用途的食品(13.0) Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
不含醇 Non-alcoholic ("柔软的 soft") 饮料 饮料 beverages, 不包括乳制品(14.1) excl. dairy products (14.1): 5.0000025.00000
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): 10.0000050.00000
即食美味(15.0) Ready-to-eat savouries (15.0): 20.00000100.00000
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): 5.0000025.00000
 
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 :

调味组评估2 Flavouring Group Evaluation 2, 版本1(fge.02) Revision 1 (FGE.02) : 无香香石竹芽油无萜丁香无香紫丁香无香紫丁香香油无萜香精无香香蒲无香紫草香油无萜桃金娘香石竹芽油无萜香精 Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, 调味料 Flavourings, 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

Epi系统 EPI System: 视图 View
EPA物质注册服务(tsca TSCA) :2601-13-0
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 :102855
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:数据 Data
己酸2-甲基丁酯 2-methyl butyl hexanoate
chemidplus Chemidplus:0002601130
 
参考资料 References:
 己酸2-甲基丁酯 2-methyl butyl hexanoate
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:2601-13-0
pubchem(cid) Pubchem (cid):102855
pubchem(sid) Pubchem (sid):135057804
信息基 Pherobase:视图 View
 
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
hmdb(人类代谢组数据库) HMDB (The Human Metabolome Database):搜索 Search
出口关税代码 Export Tariff Code:2915.90.8000
典型的g.c. Typical G.C.
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
没找到 None found
 
潜在用途 Potential Uses:
没找到 None found
 
存在(自然 Occurrence (nature, food, 其他) other):note
 赫拉克勒青草捷克水果油火鸡@ 0.10% heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
数据 Data gc GC 搜索 Search Trop Picture
 黑鬼 nigritella nigra
搜索 Search Trop Picture
 百香果 passion fruit
搜索 Search Trop Picture
 梨果 pear fruit
搜索 Search Trop Picture
 
同义词 Synonyms:
 hexanoic acid 2-methyl butyl ester
 hexanoic acid 2-甲基丁酯 2-methylbutyl ester
 hexanoic acid, 2-甲基丁酯 2-methylbutyl ester
2-methyl butyl caproate
 methyl-2-butyl-caproate (methyl-2-butylhexanoate)
2-methylbutyl caproate
2-methyl己酸丁酯 butyl hexanoate
 
 
笔记 Notes:
没找到 None found
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