3-methyl-2-pentanone
2-pentanone, 3-methyl-

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    0619 3-甲基-2-戊酮 0619 3-Methyl-2-pentanone
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    13-62150 3-甲基-2-戊酮 13-62150 3-METHYL-2-PENTANONE
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    m0388 3-甲基-2-戊酮> 98.0%(gc) M0388 3-Methyl-2-pentanone >98.0%(GC)
Name:3-methylpentan-2-one
CAS号 CAS Number: 565-61-7Picture of molecule3D/INCHI
ECHA EINECS - REACH 预注册 Pre-Reg:209-282-1
nikkaji网站 Nikkaji Web:J26.132G
MDL :mfcd00009336 MFCD00009336
代号 CoE Number:11157
XlogP3-AA:1.30(est) 1.30 (est)
分子量 Molecular Weight:100.16084000
式 Formula:c6 h12 o C6 H12 O
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)
Name:(3r)-3-甲基戊-2--2- (3R)-3-methylpentan-2-one
CAS号 CAS Number: 565-61-7 (R)Picture of molecule3D/INCHI
nikkaji网站 Nikkaji Web:J75.943K
XlogP3-AA:1.30(est) 1.30 (est)
分子量 Molecular Weight:100.16084000
式 Formula:c6 h12 o C6 H12 O
核磁共振预测器 NMR Predictor:预测(适用于Chrome或Firefox) Predict (works with chrome or firefox)
Name:(3s)-3-甲基戊-2--2- (3S)-3-methylpentan-2-one
CAS号 CAS Number: 565-61-7 (S)Picture of molecule3D/INCHI
nikkaji网站 Nikkaji Web:J75.942B
XlogP3-AA:1.30(est) 1.30 (est)
分子量 Molecular Weight:100.16084000
式 Formula:c6 h12 o C6 H12 O
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:07.185(旧) 07.185 (Old)
dg sante食品调味料 DG SANTE Food Flavourings:07.185 3-甲基戊-2--2- 07.185 3-methylpentan-2-one
 
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:0.81000 to 0.81600 @ 25.00 °C.
磅每加仑-(est)。 Pounds per Gallon - (est).: 6.740 to 6.790
折光率 Refractive Index:1.39800 to 1.40400 @ 20.00 °C.
沸点 Boiling Point: 117.00 °C. @ 760.00 mm 汞 Hg
沸点 Boiling Point: 118.00 °C. @ 758.00 mm 汞 Hg
蒸汽压力 Vapor Pressure:18.181999 毫米汞柱 mm汞 Hg @ 25.00 °C. (est)
闪点 Flash Point: 54.00 °F. tcc TCC ( 12.22 °C. )
logp(o / w) logP (o/w): 1.331(est) 1.331 (est)
溶于 Soluble in:
 alcohol
 水 water, 1.182e+004 mg/L @ 25 &deg °C (est)
 水 water, 2.09e + 04 mg / l @ 25°C(实验值) 2.09E+04 mg/L @ 25 °C (exp)
不溶于 Insoluble in:
 水 water
 
感官特性 Organoleptic Properties:
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:
DeLong Chemicals America
3-Methyl-2-pentanone
Penta International
3-甲基-2-戊酮 3-METHYL-2-PENTANONE
圣克鲁斯生物技术 Santa Cruz Biotechnology
仅供实验/研究使用。 For experimental / research use only.
3-Methyl-2-pentanone
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.
3-甲基-2-戊酮99% 3-Methyl-2-pentanone 99%
TCI AMERICA
仅供实验/研究使用。 For experimental / research use only.
3-甲基-2-戊酮> 98.0%(gc) 3-Methyl-2-pentanone >98.0%(GC)
 
安全信息 Safety Information:
首选SDS Preferred SDS: 视图 View
欧洲信息 European information :
最重要的危害 Most important hazard(s):
xi-刺激性 Xi - Irritant
R 11 - 高度 Highly 易燃的 flammable.
R 38 - 烦 的 Irritating to skin 皮.
S 02 - 保持 Keep out of the 达到 reach of 孩子们 children.
S 16 - 保持 Keep 远 away from 资料来源 sources of 点火 ignition - No 抽烟 Smoking.
S 24/25 - 避免 Avoid contact with skin 皮 and 眼睛 眼睛 eyes.
S 26 - In 案件 case of contact with 眼睛 眼睛 eyes, 冲洗 rinse 立即 immediately with 充裕 plenty of 水 water and 寻求 seek 医疗 medical 忠告 advice.
S 37/39 - 穿 我们 Wear 适当 suitable 手套 gloves and 眼睛 eye/face 保护 protection.
 
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
推荐的3-甲基-2-戊酮的使用水平不超过 Recommendation for 3-methyl-2-pentanone 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): 1.20(微克/ 均/天) 1.20 (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 II
 
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): 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-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 flavourings, 与调味品组评估7有关的与食品(afc AFC)接触的加工助剂和材料(fge.07) : 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids from chemical group 5
视图 View page or 视图 View pdf

调味组评估63(fge.63) Flavouring Group Evaluation 63 (FGE.63): 考虑脂肪族仲醇 Consideration of aliphatic secondary alcohols, jecfa(第五十九次会议)评估的酮和相关酯的结构与饱和和不饱和脂族仲醇有关 ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids 已评估 evaluated by by efsa EFSA in ge FGE.07 (2005) (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7 Flavouring Group Evaluation 7, 版本1(fge.07rev1) Revision 1 (FGE.07Rev1): 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 化学组5的仲醇和饱和直链或支链羧酸酮和酯(委员会法规(ec)2000年7月18日第1565/2000号)-食品添加剂专家组的科学意见 ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the 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) on a request from the 佣金 Commission
视图 View page or 视图 View pdf

调味组评估7 Flavouring Group Evaluation 7, 修订版2(fge.07rev2) Revision 2 (FGE.07Rev2) : 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids from chemical group 5
视图 View page or 视图 View pdf

调味组评估7 Flavouring Group Evaluation 7, 版本3(fge.07rev3) Revision 3 (FGE.07Rev3): 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids from chemical group 5
视图 View page or 视图 View pdf

调味品组评价的科学见解7 Scientific Opinion on Flavouring Group Evaluation 7, 修订版4(fge.07rev4) Revision 4 (FGE.07Rev4): 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids from chemical group 5
视图 View page or 视图 View pdf

调味品组评价的科学见解7 Scientific Opinion on Flavouring Group Evaluation 7, 修订版5(fge.07rev5) Revision 5 (FGE.07Rev5): 饱和和不饱和脂肪族仲醇 Saturated and unsaturated aliphatic secondary alcohols, 酮类 ketones and esters of 次要的 secondary alcohols and 饱和的 satu率 rated linear or 支链 branched-chain 羧酸 carboxylic acids acids from chemical group 5
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 :11262
国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:数据 Data
明智的 WISER:联合国1224 UN 1224
德国wgk WGK Germany:3
3-methylpentan-2-one
chemidplus Chemidplus:0000565617
(3r)-3-甲基戊-2--2- (3R)-3-methylpentan-2-one
(3s)-3-甲基戊-2--2- (3S)-3-methylpentan-2-one
 
参考资料 References:
 3-methylpentan-2-one
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:565-61-7
pubchem(cid) Pubchem (cid):11262
pubchem(sid) Pubchem (sid):134978440
信息基 Pherobase:视图 View
 (3r)-3-甲基戊-2--2- (3R)-3-methylpentan-2-one
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:565-61-7
pubchem(cid) Pubchem (cid):6999802
pubchem(sid) Pubchem (sid):43601426
 (3s)-3-甲基戊-2--2- (3S)-3-methylpentan-2-one
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:565-61-7
pubchem(cid) Pubchem (cid):6994393
pubchem(sid) Pubchem (sid):43596647
 
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):搜索 Search
出口关税代码 Export Tariff Code:2933.19.9000
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
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 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
 beef
搜索 Search pmc PMC Picture
  啤酒-最高1.7 mg / kg kg
搜索 Search pmc PMC Picture
 白兰地苹果白兰地 brandy apple brandy
搜索 Search pmc PMC Picture
 cheese
搜索 Search pmc PMC Picture
 蓝纹奶酪 cheese bleu cheese
搜索 Search pmc PMC Picture
  莳萝-高达1.7 mg / kg kg
搜索 Search Trop Picture
 egg
搜索 Search pmc PMC Picture
  欧洲榛树-高达1.7 mg / kg kg
搜索 Search Trop Picture
 grape
搜索 Search Trop Picture
  榛子-高达1.7 mg / kg kg
搜索 Search Trop Picture
  啤酒花油-最高100 mg / kg kg
搜索 Search Trop Picture
 广香油@ 0.01% patchouli oil china @ 0.01%
数据 Data gc GC 搜索 Search Trop Picture
 花生 peanut
搜索 Search Trop Picture
  李子水果-高达1.7 mg / kg kg
搜索 Search Trop Picture
  茶-高达1.7 mg / kg kg
搜索 Search Trop Picture
 
同义词 Synonyms:
sec-butyl methyl ketone
 methyl 1-methyl propyl ketone
 methyl 1-methylpropyl ketone
3-methyl pentan-2-one
 methyl sec-butyl ketone
(±)-3-methyl-2-pentanone
3-methylpentan-2-one
2-pentanone, 3-methyl-
 

文章 Articles:

已发布 PubMed: 大酮对oh OH的h吸附反应速率常数 : 测量和特定地点的费率规则。 measurements and site-specific rate rules.
已发布 PubMed: 绿篱芥末(sisymbrium officinale) : 挥发物的化学多样性及其抗菌活性。 chemical diversity of volatiles and their antimicrobial activity.
已发布 PubMed:在化学成分确定的培养基中,短小芽孢杆菌会产生乙酰化分解代谢和乙酰丁二醇。 Acetoin catabolism and acetylbutanediol formation by Bacillus pumilus in a chemically defined medium.
已发布 PubMed:朗姆酒的化学特性随其来源而变化。使用化学计量学技术进行鉴定。 Chemical profile of rums as a function of their origin. The use of chemometric techniques for their identification.
已发布 PubMed:铑催化的二硫键交换反应。 Rhodium-catalyzed disulfide exchange reaction.
已发布 PubMed:动态高分辨率气相色谱法对某些α-硝基酮进行对映异构化研究 Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography.
已发布 PubMed:未功能化 Unfunctionalized, 可以通过结晶诱导的亚胺的动态拆分来获得α-可扩容的非外消旋酮和醛。 alpha-epimerizable nonracemic ketones and aldehydes can be accessed by crystallization-induced dynamic resolution of imines.
已发布 PubMed:羟丙基-β-环糊精促进的3β胆固醇氧化酶的氧化方便地合成7α-hydroxycholest-4-en-3-one A convenient synthesis of 7 alpha-hydroxycholest-4-en-3-one by the hydroxypropyl-beta-cyclodextrin-facilitated cholesterol oxidase oxidation of 3 beta,7 alpha-cholest-5-ene-3 7 alpha-cholest-5-ene-3,7-二醇。 7-diol.
已发布 PubMed:油菜(甘蓝型油菜)的潜在气源性过敏原/刺激性的鉴定 The identification of potential aeroallergen/irritant(s) from oilseed rape (Brassica napus spp. oleifera): 开花过程中释放的挥发性有机化合物。 volatile organic compounds emitted during flowering progression.
已发布 PubMed:Wistar大鼠中压力诱导型增香剂之间的气味相似性。 Odor similarity between stress-inducing odorants in wistar rats.
已发布 PubMed:在致突变性测试中使用有机溶剂。 The use of organic solvents in mutagenicity testing.
已发布 PubMed:实验室手套对选定亚硝胺的渗透性。 The permeability of laboratory gloves to selected nitrosamines.
已发布 PubMed: 盲肠 cecropia幼体激素的短时立体选择性合成。
 
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