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2-庚酮

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
H103827-1ml
1ml 现货 Stock Image
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代谢物 (8911)

基本描述

别名 甲基戊基酮
英文别名 Heptan-2-one | NCGC00249180-01 | SCHEMBL1122991 | Amyl-methyl-cetone [French] | FEMA No. 2544 | MFCD00009513 | NCGC00259713-01 | STL146482 | AI3-01230 | CAS-110-43-0 | CHEBI:5672 | J-509557 | UN 1110 | 2-HEPTANONE [HSDB] | 2-Oxoheptane | Butylacetone | MnAK | n-Pentyl methyl ketone | 2-HEPT
规格或纯度 分析标准品, ≥99.8%(GC)
英文名称 2-Heptanone
储存温度 室温
运输条件 常规运输
产品介绍

具有强烈的类似香蕉的水果香气。性稳定。溶于乙醇和乙醚等有机溶剂,极微溶于水。易燃。低毒,半数致死量(大鼠,经口)1670mg/kg。


纯度 ≥99.8%(GC)

关联靶点(人)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Oryctolagus cuniculus (11301 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 504751556
EC号 203-767-1
分子类型 小分子
IIUPAC Name heptan-2-one
INCHI 1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChi Key CATSNJVOTSVZJV-UHFFFAOYSA-N
Smiles CCCCCC(=O)C
Isomeric SMILES CCCCCC(=O)C
UN Number 1110
Packing Group III
分子量 114.19
Beilstein号 1699063
Reaxy-Rn 1699063
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699063&ln=

化学和物理性质

溶解性 溶于水,可混溶于多数有机溶剂。
密度 0.82
折光率 1.408
闪点(℃) 39℃
沸点 151.5°C
熔点 -35.5°C
分子量 114.190 g/mol
XLogP3 2.000
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 1
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 114.104 Da
单同位素质量Monoisotopic Mass 114.104 Da
拓扑极表面积Topological Polar Surface Area 17.100 Ų
重原子数Heavy Atom Count 8
形式电荷Formal Charge 0
复杂度Complexity 66.800
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

一般危化品 一般危化品
象形图 GHS02,   GHS07
信号词 警告
危险声明

H226: 易燃液体和蒸气

H302: 吞食有害

H332: 吸入有害

预防措施声明

P210: 远离热源,热表面,火花,明火和其他点火源。 - 禁止抽烟。

P233: 保持容器密闭。

P240: 地面/粘结容器和接收设备

P241: 使用防爆的[电气/通风/照明/.../]设备。

P242: 仅使用无火花的工具。

P243: 采取防静电措施

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P330: 漱口

P303+P361+P353: 如皮肤(或头发)沾染:立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。

P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。

P370+P378: 火灾时:使用干砂、干粉或抗醇泡沫灭火。

P403+P235: 存放在通风良好的地方。保持低温。

P501: 将内容物/容器处理到。。。

P301+P317: 如果被吞咽:请寻求医疗帮助。

P317: 寻求紧急医疗救助。

WGK Germany 1
RTECS MJ5075000
Class 3
Merck Index 4663
个人防护装备 Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

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找到2个结果

批号(Lot Number) 证书类型 货号
B2208355 分析证书 H103827
E2112322 分析证书 H103827

技术文档和文章

羟醛缩合反应
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction
Aldol Condensation Reaction

此产品的引用文献

引用文献

1. Yilin Li, Houyin Wang, Ruotong Li, Guirong Liu, Kui Zhong, Lipeng Gao, Baoqing Zhu, Anwen Jin, Bolin Shi, Lei Zhao, Sisi Wang.  (2023)  Monitoring volatile changes in infant formula during long-term storage at room temperature.  Current Research in Food Science,  (100645).  [PMID:38077467] [10.1016/j.crfs.2023.100645]
2. Haitang Wang, Hongwei Zhang, Qian Liu, Xiufang Xia, Qian Chen, Baohua Kong.  (2022)  Exploration of interaction between porcine myofibrillar proteins and selected ketones by GC–MS, multiple spectroscopy, and molecular docking approaches.  FOOD RESEARCH INTERNATIONAL,  160  (111624).  [PMID:36076437] [10.1016/j.foodres.2022.111624]
3. Xin Geng, Zhengyan Zhao, Hongli Li, David Da Yong Chen.  (2021)  Tee-Shaped Sample Introduction Device Coupled with Direct Analysis in Real-Time Mass Spectrometry for Gaseous Analytes.  ANALYTICAL CHEMISTRY,  93  (50): (16813–16820).  [PMID:34825821] [10.1021/acs.analchem.1c03281]
4. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu.  (2021)  Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu).  Foods,  10  (11): (2888).  [PMID:34829169] [10.3390/foods10112888]
5. Zhang Xiaofang, Wang Liuyang, Liu Chunqin, Liu Yongqiang, Mei Xiangdong, Wang Zhongyue, Zhang Tao.  (2021)  Identification and field verification of an aggregation pheromone from the white-spotted flower chafer, Protaetia brevitarsis Lewis (Coleoptera: Scarabaeidae).  Scientific Reports,  11  (1): (1-10).  [PMID:34785739] [10.1038/s41598-021-01887-y]
6. Chen Liu, Ping Yang, Haili Wang, Huanlu Song.  (2022)  Identification of odor compounds and odor-active compounds of yogurt using DHS, SPME, SAFE, and SBSE/GC-O-MS.  LWT-FOOD SCIENCE AND TECHNOLOGY,  154  (112689).  [10.1016/j.lwt.2021.112689]
7. Jinguang Liu, Yuqian Liu, Anqi Wang, Zhen Dai, Rui Wang, Hui Sun, Padraig Strappe, Zhongkai Zhou.  (2021)  Characteristics of moisture migration and volatile compounds of rice stored under various storage conditions.  JOURNAL OF CEREAL SCIENCE,  102  (103323).  [10.1016/j.jcs.2021.103323]
8. Jinguang Liu, Yuqian Liu, Meng Jia, Xuedong Kang, Saimin Wang, Hui Sun, Meng Liu, Anqi Wang, Padraig Strappe, Zhongkai Zhou.  (2021)  Association of enriched metabolites profile with the corresponding volatile characteristics induced by rice yellowing process.  FOOD CHEMISTRY,  349  (129173).  [PMID:33582543] [10.1016/j.foodchem.2021.129173]
9. Chao Wang, Zhongrong He, Chenxia Zhang, Liping Du, Dongguang Xiao, Yongquan Xu.  (2020)  Sensory and instrumental analysis-guided exploration of odor-active compounds recovery with oil during the water-boiling extraction of Pu-erh tea.  FOOD RESEARCH INTERNATIONAL,  134  (109243).  [PMID:32517926] [10.1016/j.foodres.2020.109243]
10. Hui Shen, Mingquan Huang, Mouming Zhao, Weizheng Sun.  (2019)  Interactions of selected ketone flavours with porcine myofibrillar proteins: The role of molecular structure of flavour compounds.  FOOD CHEMISTRY,  298  (125060).  [PMID:31261004] [10.1016/j.foodchem.2019.125060]
11. Jianlin Peng, Meiling Qi.  (2018)  Poly(3-hexylthiophene) stationary phase for gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,  1569  (186).  [PMID:30031537] [10.1016/j.chroma.2018.07.047]
12. Guofeng Mao, Jiaxin Tian, Ting Li, Hatem Fouad, Hassan Ga'al, Jianchu Mo.  (2018)  Behavioral responses of Anagrus nilaparvatae to common terpenoids, aromatic compounds, and fatty acid derivatives from rice plants.  ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA,  166  (6): (483-490).  [10.1111/eea.12689]
13. Jianlin Peng, Yonggang Shi, Zhishuai Yang, Meiling Qi, Feng Wang.  (2016)  Performance and selectivity of dicyanuric-functionalized polycaprolactone as stationary phase for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,  1466  (129).  [PMID:27597139] [10.1016/j.chroma.2016.08.070]
14. Feibai Zhou, Mouming Zhao, Guowan Su, Weizheng Sun.  (2014)  Binding of Aroma Compounds with Myofibrillar Proteins Modified by a Hydroxyl-Radical-Induced Oxidative System.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  62  (39): (9544–9552).  [PMID:25175304] [10.1021/jf502540p]
15. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2015)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,  167  (220).  [PMID:25148982] [10.1016/j.foodchem.2014.06.057]
16. Liang Dong, Yingmin Hou, Feng Li, Yongzhe Piao, Xiao Zhang, Xiaoyu Zhang, Cheng Li, Changxin Zhao.  (2014)  Characterization of volatile aroma compounds in different brewing barley cultivars.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  95  (5): (915-921).  [PMID:24862930] [10.1002/jsfa.6759]
17. Qingshan Zhao, Yang Li, Ru Liu, Ao Chen, Guoliang Zhang, Fengbao Zhang, Xiaobin Fan.  (2013)  Enhanced hydrogenation of olefins and ketones with a ruthenium complex covalently anchored on graphene oxide.  Journal of Materials Chemistry A,  (47): (15039-15045).  [10.1039/C3TA13378H]
18. Zhihui Feng,Yifan Li,Ming Li,Yijun Wang,Liang Zhang,Xiaochun Wan,Xiaogen Yang.  (2019-02-25)  Tea aroma formation from six model manufacturing processes..  Food chemistry,  285  (347-354).  [PMID:30797356]
19. Jia-Wei Wang, Zhi-Dong Pei, Yue-Hua Chen, Si-Yu Li, Tian-Min Wang, Ting-Guo Kang, Na Li, Ya-Mei Song, Hui-Peng Song, Hui Zhang.  (2024)  A strategy to distinguish similar traditional Chinese medicines by liquid chromatography–mass spectrometry, electronic senses, and gas chromatography–ion mobility spectrometry: Marsdeniae tenacissimae Caulis and Paederiae scandens Caulis as examples.  PHYTOCHEMICAL ANALYSIS,  [PMID:39037036] [10.1002/pca.3425]
20. Tao Tang, Fanfan Wang, Houyun Huang, Nengneng Xie, Jie Guo, Xiaoliang Guo, Yuanyuan Duan, Xiaoyue Wang, Qingfang Wang, Jingmao You.  (2024)  Antipathogenic Activities of Volatile Organic Compounds Produced by Bacillus velezensis LT1 against Sclerotium rolfsii LC1, the Pathogen of Southern Blight in Coptis chinensis.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  72  (18): (10282-10294).  [PMID:38657235] [10.1021/acs.jafc.4c00984]
21. Shan Jiang, Pengfei Jiang, Dingding Feng, Meiran Jin, Hang Qi.  (2024)  Characterization of flavor substances in cooking and seasoned cooking brown seaweeds by GC-IMS and E-nose.  Food Chemistry-X,  22  (101325).  [PMID:38699587] [10.1016/j.fochx.2024.101325]
22. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,  141  (107374).  [10.1016/j.jfca.2025.107374]
23. Yanmei Xi, Yan Yang, Xuelu Chi, Weizhe Wang, Baoguo Sun, Nasi Ai.  (2024)  Characterization of the flavor profile of UHT milk during shelf-life via volatile metabolomics fingerprinting combined with chemometrics.  FOOD RESEARCH INTERNATIONAL,  (114705).  [PMID:39059956] [10.1016/j.foodres.2024.114705]
24. Xiao Jia, Hongli Cui, Song Qin, Jingnan Ren, Zhifeng Zhang, Qi An, Nawei Zhang, Jinchu Yang, Yongfeng Yang, Gang Fan, Siyi Pan.  (2024)  Characterizing and decoding the key odor compounds of Spirulina platensis at different processing stages by sensomics.  FOOD CHEMISTRY,  461  (140944).  [PMID:39182338] [10.1016/j.foodchem.2024.140944]
25. Penghui Zhao, Yongqiang An, Zijie Dong, Xiaoxue Sun, Wanli Zhang, Heng Wang, Bing Yang, Jing Yan, Bing Fang, Fazheng Ren, Lishui Chen.  (2024)  Comparative Analysis of Commercially Available Flavor Oil Sausages and Smoked Sausages.  MOLECULES,  29  (16): (3772).  [PMID:39202857] [10.3390/molecules29163772]
26. Baoqing Bai, Lanqi Zhang, Ying Zhang, Bin Feng, Tao Bo, Jinhua Zhang, Sanhong Fan, Yukun Yang.  (2025)  Comparative analysis of flavor characteristics of two rounds of Qingxiangxing Baijiu by GC×GC-TOFMS, HS-GC-IMS, GC-E-nose and E-tongue.  Food Bioscience,  63  (105789).  [10.1016/j.fbio.2024.105789]
27. Qiaozhen Zhang, Yue Sun, Yahui Sun, Cui Guo, Jiayin Zhu, Xinkui Niu, Mingshuang Gao.  (2025)  Comparative analysis of physicochemical properties, sensory characteristics, and volatile flavor compounds in five types of potato chips.  Frontiers in Nutrition,  12  [PMID:40177180] [10.3389/fnut.2025.1525480]
28. Zhe Cai, Qinbo Jiang, Ruihao Zhang, Yifang Ma, Kaini Chen, Shijie Zheng, Peng Li, Cheng Zeng, Hui Zhang.  (2025)  Comparison of extraction and refinement techniques for volatile compound analysis in camellia oil.  FOOD CHEMISTRY,  469  (142501).  [PMID:39709918] [10.1016/j.foodchem.2024.142501]
29. Yanhua Pan, Yini Ma, Jiadong He, Lu Zhang, Rong Huang, Ling Tang, Jiaxuan Ren, Weicheng Wang, Muriel Quinet, Yu Meng.  (2024)  Comprehensive assessment of fragrance profiles in peony flowers through HS-GC-IMS and metabolic pathway analysis.  SCIENTIA HORTICULTURAE,  338  (113646).  [10.1016/j.scienta.2024.113646]
30. Kun Tang, Cong Chen, Yutong Liu, Suxuan Li, Yiye Luo, Xiaoyu Chen, Zhiyong Wu.  (2025)  Comprehensive Characterization of Aroma Profile of “Glutinous Rice” Flavor in Pandanus amaryllifolius Roxb. Using HS–SPME–GC–O–MS and HS-GC-IMS Technology Coupled with OAV.  Foods,  14  (6): (935).  [PMID:40231908] [10.3390/foods14060935]
31. Jijuan Zhou, Dianlong Ge, Yue Liu, Yajing Chu, Xiangxue Zheng, Yan Lu, Yannan Chu.  (2024)  Developing Multiple Media Approach to Investigate Reproducible Characteristic VOCs of Lung Cancer Cells.  ANALYTICAL CHEMISTRY,  96  (52): (20398-20405).  [PMID:39692311] [10.1021/acs.analchem.4c03894]
32. Yingying Zhang, Yuan Wang, Huan Liu, Dasheng Xu, Dengyong Liu.  (2025)  Development of a fiber derivatization method for the analysis of 18 carbonyl compounds in roasted lamb using HS-SPME/GC-TQ/MS.  FOOD CHEMISTRY,  (143881).  [PMID:40138836] [10.1016/j.foodchem.2025.143881]
33. Wenhui Lu, Chunli Ding, Mingshuo Zhu.  (2024)  Discrimination of coal geographical origins through HS-GC-IMS assisted with machine learning algorithms in larceny case.  JOURNAL OF CHROMATOGRAPHY A,  1735  (465330).  [PMID:39232421] [10.1016/j.chroma.2024.465330]
34. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,  10  [PMID:39253161] [10.1016/j.heliyon.2024.e36382]
35. Shengchen Zheng, Jianwei Lin, Yong Chen, Changjiang Zang, Fan Yang, Jiahao Li, Xiaobin Li.  (2025)  Effects of Sodium Acetate and Sodium Butyrate on the Volatile Compounds in Mare’s Milk Based on GC-IMS Analysis.  Animals,  15  (6): (844).  [PMID:40150373] [10.3390/ani15060844]
36. He Liu, Shixi Wang, Meng Xu, Kaiyue Zhang, Qian Gao, Hualei Wang, Dongzhi Wei.  (2024)  Engineering an (R)-selective transaminase for asymmetric synthesis of (R)-3-aminobutanol.  BIOORGANIC CHEMISTRY,  146  (107264).  [PMID:38492494] [10.1016/j.bioorg.2024.107264]
37. Xiaoling Li, Zhihui Wang, Chaowen Hou, Xiujuan Gong, Zexiang Liu, Yuhe Shi, Jianye Yan, Qiaozhen Tong.  (2025)  Identification and Characterization of Volatile Organic Compounds Based on GC-IMS Technology in Different Organs of Lilium brownii var. viridulum and After Bud-Removal and Non-Bud-Removal Treatments.  MOLECULES,  30  (6): (1238).  [PMID:40142014] [10.3390/molecules30061238]
38. Li Ma, Jing Gao, Zhen Zhang, Xiaoyang Zhu, Bolin Chen, Yongzhong Chen, Senwen Deng, Zhigang Li, Xinzhi Chen.  (2024)  Impact of Drying Processes for Camellia Seeds on the Volatile Compounds of Camellia Seed Oil.  Processes,  12  (7): (1332).  [10.3390/pr12071332]
39. Xinyang Li, Taiyu Li, Jixiang Zhang, Xiaoguo Ying, Shanggui Deng, Gengsheng Xiao, Soottawat Benjakul, Charles Brennan, Lukai Ma.  (2025)  Oxidation of aquatic products from the inside out accelerates their deterioration: A case study of sea bass (Lateolabrax japonicus) during storage.  FOOD CHEMISTRY,  478  (143639).  [PMID:40056626] [10.1016/j.foodchem.2025.143639]
40. Han Li, Xiaoming Wu, Yan Miao, Fengyu Dong, Xinjing Gui, Panpan Wang, Xuelin Li, Ruixin Liu.  (2025)  Quality Consistency Evaluation of Chemical Composition and Pharmacology of Pheretima aspergillum Dispensing Granules and Traditional Decoction Based on HPLC, GC-IMS, and Animal Experiments.  JOURNAL OF SEPARATION SCIENCE,  48  (2): (e70090).  [PMID:39899457] [10.1002/jssc.70090]
41. Pan-Pan Zhang, Xin-Jing Gui, Xue-Hua Fan, Han-Li, Hai-Yang Li, Xiao-Peng Li, Feng-Yu Dong, Yan-Li Wang, Jing-Yao, Jun-Han Shi, Rui-Xin Liu.  (2025)  Quality identification of Amomi fructus using E-nose, HS-GC-IMS, and intelligent data fusion methods.  Frontiers in Chemistry,  13  [PMID:39981266] [10.3389/fchem.2025.1544743]
42. Zhongxiao Yue, Ruidong Zhang, Naihong Feng, Xiangyang Yuan.  (2025)  Uncovering the Differences in Flavour Volatiles from Hybrid and Conventional Foxtail Millet Varieties Based on Gas Chromatography–Ion Migration Spectrometry and Chemometrics.  Plants-Basel,  14  (5): (708).  [PMID:40094604] [10.3390/plants14050708]
43. Lijun Ling, Rongxiu Mo, Wenyue Zhang, Yijuan Jiang, Fanjin Kong, Lijun Feng, Yao Li, Rui Yue, Yongpeng Zhou.  (2025)  Unravelling the inhibition mechanism of 1-octene-3-ol combined with 3-heptene-2-one on Aspergillus flavus and its application in the preservation of wolfberries.  POSTHARVEST BIOLOGY AND TECHNOLOGY,  223  (113462).  [10.1016/j.postharvbio.2025.113462]
44. Wenhui Lu, Mingshuo Zhu, Chunli Ding, Xuebo Li, Junchao Ma, Yinghua Qi, Mengshuo Guo.  (2025)  Volatile fingerprint and multivariate odor evaluation of gasification slag and natural coal resources using gas chromatography–ion mobility spectrometry and gas chromatography–mass spectrometry characterization.  MICROCHEMICAL JOURNAL,  208  (112601).  [10.1016/j.microc.2024.112601]

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