概述规格名称和识别符技术文档高级数据系统学分类三维结构关联靶点（人）作用机制质检证书（CoA,COO,BSE/TSE 和分析图谱) 化学和物理性质安全和危险性（GHS）此产品的引用文献技术文档和文章引用文献溶液计算器

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为什么选择此级别

提供 ≥99%(GC) 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。

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储存与运输

室温,干燥。DG运输。请查阅批次 COA 获取详细规格。

📋

质量文档

SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。

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文献证明

在色谱分析、有机合成和交叉偶联反应领域已被 75 篇同行评审文献引用。

概述

有似薄荷香。易成聚合体,有酸存在时更易。能与乙醇、乙醚和其他有机溶剂混溶,微溶于水。易燃。半数致死量（小鼠，腹腔）1950mg/kg。有刺激性。制药、生物制剂、杀虫剂和橡胶的中间体。

It has a mint like fragrance. Easy to form aggregates, especially in the presence of acid. Can be miscible with ethanol, ether, and other organic solvents, and slightly soluble in water. Flammable. LD50 (mouse, intraperitoneal) 1950mg/kg. It is stimulating. Intermediate for pharmaceuticals, biologics, insecticides, and rubber.

规格

英文别名

规格或纯度

≥99%(GC)

英文名称

Cyclopentanone

应用

制药、生物制品、杀虫剂及橡胶领域的中间体。

储存条件

室温,干燥

运输条件

DG运输

纯度

≥99%(GC)

名称和识别符

PubChem SID

488180799

EC号

204-435-9

分子类型

小分子

IUPAC Name

cyclopentanone

INCHI

1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2

InChi Key

BGTOWKSIORTVQH-UHFFFAOYSA-N

Smiles

C1CCC(=O)C1

Isomeric SMILES

C1CCC(=O)C1

UN Number

2245

Packing Group

III

分子量

84.12

Beilstein号

605573

Reaxy-Rn

605573

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605573&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

查看数据表 →

🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 有机氧化合物
  - 类（Class) 有机氧化合物
    - 亚类（Subclass）羰基化合物
      - 第5级 (level 5) 酮类
        第6级 (level 6) 环酮

界（kingdom)	有机化合物
超类（Superclass)	有机氧化合物
类（Class)	有机氧化合物
亚类（Subclass）	羰基化合物
中间层级节点（Intermediate Tree Nodes）	酮类
直接上位类(Direct Parent)	环酮
其他上位类（Alternative Parents）	有机氧化物碳氢化合物衍生物
分子骨架（Molecular Framework)	脂肪族同单环化合物
取代基（Substituents）	脂肪族同单环化合物 - 环酮 - 烃衍生物 - 有机氧化物
描述（Description）	该化合物属于环酮类有机化合物。这类化合物含有与环状结构共轭的酮基团。
外部描述符（External Descriptors）	a small molecule

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

关联靶点（人）

TRIM24 Tchem 转录中介因子1-alpha(Transcription intermediary factor 1-alpha) (2 活性数据)

点击查看靶蛋白信息： TRIM24

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

TRIM33 Tchem E3 泛素蛋白连接酶 TRIM33(E3 ubiquitin-protein ligase TRIM33) (2 活性数据)

点击查看靶蛋白信息： TRIM33

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 活性数据)

点击查看靶蛋白信息： PNMT

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 活性数据)

点击查看靶蛋白信息： TRIM33

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

化学和物理性质

溶解性

能与乙醇、乙醚和其他有机溶剂混溶,微溶于水

密度

0.951

折光率

1.4366

闪点(℉)

86.0 °F - closed cup

闪点(℃)

30 °C - closed cup

沸点

130-131 °C (lit.)

熔点

-51°C

分子量

84.120 g/mol

XLogP3

0.400

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

84.0575 Da

单同位素质量Monoisotopic Mass

84.0575 Da

拓扑极表面积Topological Polar Surface Area

17.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

58.300

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

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

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

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

P242: 仅使用无火花的工具。

P243: 采取防静电措施

P264: 处理后要彻底洗手。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P302+P352: 如皮肤沾染：用水充分清洗。

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。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

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。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

WGK Germany

RTECS

GY4725000

Class

Merck Index

2743

个人防护装备

Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到68个结果

批号(Lot Number)	证书类型	货号
H2617550	分析证书	C108567
H2617548	分析证书	C108567
H2617547	分析证书	C108567
H2617546	分析证书	C108567
H2617545	分析证书	C108567
H2617542	分析证书	C108567
E2620251	分析证书	C108567
E2620249	分析证书	C108567
E2620250	分析证书	C108567
E2620252	分析证书	C108567
C2624254	分析证书	C108567
C2624226	分析证书	C108567
C2624225	分析证书	C108567
C2624224	分析证书	C108567
C2624221	分析证书	C108567
C2624223	分析证书	C108567
A2605173	分析证书	C108567
A2605172	分析证书	C108567
A2605174	分析证书	C108567
A2605176	分析证书	C108567
A2605177	分析证书	C108567
L2504062	分析证书	C108567
K2506257	分析证书	C108567
K2506200	分析证书	C108567
K2506229	分析证书	C108567
K2506255	分析证书	C108567
K2506256	分析证书	C108567
J2529163	分析证书	C108567
I2518045	分析证书	C108567
D2530016	分析证书	C108567
D2530017	分析证书	C108567
D2530018	分析证书	C108567
D2530019	分析证书	C108567
B2514008	分析证书	C108567
B2518083	分析证书	C108567
B2518082	分析证书	C108567
B2518081	分析证书	C108567
B2506055	分析证书	C108567
G2404223	分析证书	C108567
G2404219	分析证书	C108567
G2404218	分析证书	C108567
G2404217	分析证书	C108567
G2404224	分析证书	C108567
E2421042	分析证书	C108567
E2411304	分析证书	C108567
C2426021	分析证书	C108567
E2319100	分析证书	C108567
E2319088	分析证书	C108567
E2319089	分析证书	C108567
E2319090	分析证书	C108567
E2319091	分析证书	C108567
E2319097	分析证书	C108567
K2209028	分析证书	C108567
K2209109	分析证书	C108567
K2209390	分析证书	C108567
K2209026	分析证书	C108567
C2330347	分析证书	C108567
K2209025	分析证书	C108567
C2317424	分析证书	C108567
C2321983	分析证书	C108567
C2321985	分析证书	C108567
F2216311	分析证书	C108567
F2216310	分析证书	C108567
F2216309	分析证书	C108567
F2216301	分析证书	C108567
F2216298	分析证书	C108567
F2216297	分析证书	C108567
I2214148	分析证书	C108567

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技术文档和文章

羟醛缩合反应

目录：技术文章

探索主题:

有机砌块砌块催化剂无机催化剂羟醛缩合反应

Aldol Condensation Reaction

目录：技术文章

探索主题:

Organic block Building Blocks Catalytic agent Inorganic catalyst Aldol condensation reaction

Baeyer-Villiger氧化

目录：技术文章

探索主题:

Baeyer-Villiger氧化

Baeyer-Villiger Oxidation

目录：技术文章

探索主题:

Baeyer-Villiger Oxidation

从多类酮到三维螺环砌块：[1.1.1]Propellane 参与的酮环扩张反应设计

目录：技术文章

探索主题:

螺环砌块酮类化合物

From Diverse Ketones to Three-Dimensional Spirocyclic Building Blocks: Reaction Design of [1.1.1]Propellane-Involved Ketone Ring Expansion

目录：技术文章

探索主题:

Spiral ring block Ketone compounds

旋转蒸发辅助可逆脱水反应：减压挥发、挥发性组分移除与平衡响应

目录：技术文章

探索主题:

旋转蒸发

Rotary-Evaporation-Assisted Reversible Dehydration Reactions: Reduced-Pressure Evaporation, Removal of Volatile Components, and Equilibrium Response

目录：技术文章

探索主题:

Rotary Evaporation

此产品的引用文献

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引用文献

1. Zhi Hu, Yiyi Cheng, Meng Wu, Ying Duan, Yanliang Yang, Tianliang Lu. (2023) A Novel Strategy for the Preparation of Supported Pd as an Efficient Catalyst for the Hydrogenation of Nitrobenzene in Mild Conditions. Catalysts, 13 (11): (1438). [10.3390/catal13111438]
2. Mengyang Liu, Bin Gu, Jingmei Li, Huangzhao Wei, Weiyang Xue, Yukun Jiang, Chenglin Sun. (2023) Synergistic Effect Enhancing Baeyer-Villiger Oxidation Performance of Resin-Derived-Carbon Supported FeCe Bimetallic Catalyst. ChemCatChem, 15 (21): (e202300852). [10.1002/cctc.202300852]
3. Libin Huang, Hao Teng, Meiling Wang, Jing Fang, Yu Yuan, Ming Ma, Ziwei Luo, Bo Chen, Bin Guo. (2023) Isotope-coded derivatization with designed Girard-type reagent as charged isobaric mass tags for non-targeted profiling and discovery of natural aldehydes by liquid chromatography-tandem mass spectrometry. JOURNAL OF CHROMATOGRAPHY A, [PMID:37236140] [10.1016/j.chroma.2023.464084]
4. Junjian Xie, Yuxuan Liang, Bo Yang, Jun Zhang, Jiawei Xie, Ji-Jun Zou, Qiuyu Zhang. (2023) Photosensitized Conia reaction directed synthesis of high-performance asymmetric polycyclic hydrocarbons from biomass-derived ketones and petroleum-derived norbornene. FUEL, [10.1016/j.fuel.2023.127539]
5. Xinghua Zhang, Miaojia Song, Jianguo Liu, Qi Zhang, Lungang Chen, Longlong Ma. (2023) Synthesis of high density and low freezing point jet fuels range cycloalkanes with cyclopentanone and lignin-derived vanillins. Journal of Energy Chemistry, [10.1016/j.jechem.2022.12.017]
6. Liting Ti, Xueru Sheng, Haiyuan Jia, Wenjia Han, Qingwei Ping, Jinfan Yang, Ning Li. (2022) Process integration of KOH/diatomite preparation and cyclopentanone self-condensation via ball-milling method. Molecular Catalysis, [10.1016/j.mcat.2022.112869]
7. Shanshan Shao, Laixin Ma, Xiaohua Li, Huiyan Zhang, Rui Xiao. (2022) Preparation of activated carbon with heavy fraction of bio-oil from rape straw pyrolysis as carbon source and its performance in the aldol condensation for aviation fuel as carrier. INDUSTRIAL CROPS AND PRODUCTS, [10.1016/j.indcrop.2022.115912]
8. Zhensheng Shen, Gewei Zhang, Chengxiang Shi, Juncong Qu, Lun Pan, Zhenfeng Huang, Xiangwen Zhang, Ji-Jun Zou. (2022) Bifunctional Pt/Hβ catalyzed alkylation and hydrodeoxygenation of phenol and cyclohexanol in one-pot to synthesize high-density fuels. FUEL, [10.1016/j.fuel.2022.126634]
9. Liting Ti, Xueru Sheng, Haiyuan Jia, Qingwei Ping, Ning Li. (2022) Cyclopentanone Self-Aldol Condensation by Ball-Milling Method: Optimization Using Response Surface Methodology (RSM) and Life Cycle Assessment (LCA). ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.2c03913]
10. Taotao Zhang, Rui Xu, Hang Lv, Zhenxiang Wang, Haidong Ye, Haiqin Liu, Liang Chen. (2022) Blue light-emitting electrochemical cells incorporating aggregation-induced emission small molecules. OPTIK, [10.1016/j.ijleo.2022.169176]
11. Liu Mengfan, Yao Jingjing, Zhang Chengliang, Hao Runqin, Zhang Zhongguo, Cao Wenbo. (2022) Quantitative analysis of multi-components by single-marker: An effective method for the chemical characterization of wood vinegar. INDUSTRIAL CROPS AND PRODUCTS, [10.1016/j.indcrop.2022.114862]
12. Ling Yan, Qing-Song Gu, Wen-Li Jiang, Min Tan, Zhi-Ke Tan, Guo-Jiang Mao, Fen Xu, Chun-Yan Li. (2022) Near-Infrared Fluorescent Probe with Large Stokes Shift for Imaging of Hydrogen Sulfide in Tumor-Bearing Mice. ANALYTICAL CHEMISTRY, [PMID:35360906] [10.1021/acs.analchem.1c04169]
13. Zhiquan Yu, Yan Li, Yunlong Yao, Yao Wang, Ying-Ya Liu, Zhichao Sun, Chuan Shi, Wei Wang, Anjie Wang. (2022) Highly selective hydrogenative ring-rearrangement of furfural to cyclopentanone over a bifunctional Ni3P/γ-Al2O3 catalyst. Molecular Catalysis, [10.1016/j.mcat.2022.112239]
14. Xing-Long Li, Rui Zhu. (2022) A multi-functional porous cobalt catalyst for the selective hydrogenative ring-opening and rearrangement of furfural to cyclopentanol. Materials Advances, 3 (9): (3885-3896). [10.1039/D2MA00127F]
15. Shajie Luo, Fajian Ren, Jiangang Dai, Yan Chen, Zhongzhu Yang. (2021) Novel poly(arylene ether nitrile) containing pendant aliphtatic ring in the chain: Synthesis and properties. HIGH PERFORMANCE POLYMERS, [10.1177/09540083211042267]
16. Qianqian Xu, Xueru Sheng, Na Li, Jian Zhang, Haiqiang Shi, Meihong Niu, Qingwei Ping, Ning Li. (2021) Ball-Milling: A Productive, Economical, and Widely Applicable Method for Condensation of Biomass-Derived Aldehydes and Ketones at Mild Temperatures. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.1c02270]
17. Shan Feng, Xinghua Zhang, Qi Zhang, Yuan Liang, Xuelai Zhao, Chenguang Wang, Longlong Ma. (2021) Synthesis of branched alkane fuel from biomass-derived methyl-ketones via self-aldol condensation and hydrodeoxygenation. FUEL, [10.1016/j.fuel.2021.120889]
18. Xiaohua Li, Jiayuan Sun, Shanshan Shao, Xinggang Hu, Yixi Cai. (2021) Aldol condensation/hydrogenation for jet fuel from biomass-derived ketone platform compound in one pot. FUEL PROCESSING TECHNOLOGY, [10.1016/j.fuproc.2021.106768]
19. Wang Dongdong, Al-Mamun Mohammad, Gong Wanbing, Lv Yang, Chen Chun, Lin Yue, Wang Guozhong, Zhang Haimin, Zhao Huijun. (2021) Converting Co2+-impregnated g-C3N4 into N-doped CNTs-confined Co nanoparticles for efficient hydrogenation rearrangement reactions of furanic aldehydes. Nano Research, 14 (8): (2846-2852). [10.1007/s12274-021-3298-y]
20. Jyoti Gupta, Konstantinos Papadikis, Elena Yu. Konysheva, Yi Lin, Ivan V. Kozhevnikov, Jingjing Li. (2021) CaO catalyst for multi-route conversion of oakwood biomass to value-added chemicals and fuel precursors in fast pyrolysis. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2020.119858]
21. Fengfeng Chen, Kui Shen, Yitao Yang, Haigen Huang, Yingwei Li. (2020) MOF-Assisted Synthesis of Highly Mesoporous Cr2O3/SiO2 Nanohybrids for Efficient Lewis-Acid-Catalyzed Reactions. ACS Applied Materials & Interfaces, [PMID:33073975] [10.1021/acsami.0c15344]
22. Qianchun Zhang, Qin Zhou, Yan Wang, Yun Wu, Li Jiang, Yuguo Zheng, Junyi Liang. (2020) The development of a simple yet excellent cataluminescence sensor based on nano-Dy2O3 for the rapid monitoring of cyclopentanone. MEASUREMENT SCIENCE and TECHNOLOGY, 31 (9): (095102). [10.1088/1361-6501/ab8e6b]
23. Qiang Liu, Xinghua Zhang, Qi Zhang, Qiying Liu, Chenguang Wang, Longlong Ma. (2020) Synthesis of Jet Fuel Range Cycloalkanes with Cyclopentanone and Furfural. ENERGY & FUELS, [10.1021/acs.energyfuels.0c00919]
24. Shixiang Dong, Jing Li, Shuai Zhang, Ning Li, Bo Li, Liqin Ge. (2020) Controlled fabrication of polyfluoroimide microspheres by electrospray technique. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2020.124927]
25. Ran Wang, Guangyi Li, Hao Tang, Aiqin Wang, Guoliang Xu, Yu Cong, Xiaodong Wang, Tao Zhang, Ning Li. (2019) Synthesis of Decaline-Type Thermal-Stable Jet Fuel Additives with Cycloketones. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.9b04288]
26. Yao Zhong, Peixin Zhang, Xiaomin Zhu, Huan Li, Qiang Deng, Jun Wang, Zheling Zeng, Ji-Jun Zou, Shuguang Deng. (2019) Highly Efficient Alkylation Using Hydrophobic Sulfonic Acid-Functionalized Biochar as a Catalyst for Synthesis of High-Density Biofuels. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.9b03190]
27. Yangbing Jiang, Yuyao Zhang, Baoliang Chen, Xiaoying Zhu. (2019) Membrane hydrophilicity switching via molecular design and re-construction of the functional additive for enhanced fouling resistance. JOURNAL OF MEMBRANE SCIENCE, [10.1016/j.memsci.2019.117222]
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