基本描述

别名	十一烷酸
英文别名	75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2 \| Tox21_201031 \| undecanoate \| Undekansaeure \| 1-Decanecarboxylic acid \| BDBM50511006 \| NSC 7885 \| CAS-112-37-8 \| UNDECANOIC ACID [FHFI] \| bmse000563 \| BP-27912 \| HY-W004282 \| Z104473988 \| CHEBI:32368 \| HMS3740G13 \| A8
规格或纯度	Standard for GC, ≥99.5%(GC)
英文名称	Undecanoic acid
运输条件	常规运输
产品介绍	不溶于水，溶于醇、醚、甲酚和1-丁醇。

AI解读

关联靶点（人）

GPR84 Tchem G蛋白偶联受体84(G-protein coupled receptor 84) (0 活性数据)

点击查看靶蛋白信息： GPR84

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

关联靶点（其它种属）

Bacillus subtilis (32866 活性数据)

点击查看此靶标相关信息

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

Bursaphelenchus xylophilus (372 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	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

EC号	203-964-2
分子类型	小分子
IUPAC Name	undecanoic acid
INCHI	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChi Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCCCC(=O)O
Isomeric SMILES	CCCCCCCCCCC(=O)O
WGK Germany	1
RTECS	YQ2275000
PubChem CID	8180
分子量	186.29
Beilstein号	1759287

化学和物理性质

溶解性	不溶于水，溶于乙醇、乙醚。
密度	0.909
凝固点	28 °C
闪点(℉)	235.4 °F
闪点(℃)	113 °C
沸点	228°C
熔点	28-31°C
分子量	186.290 g/mol
XLogP3	3.700
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	9
精确质量Exact Mass	186.162 Da
单同位素质量Monoisotopic Mass	186.162 Da
拓扑极表面积Topological Polar Surface Area	37.300 Å²
重原子数Heavy Atom Count	13
形式电荷Formal Charge	0
复杂度Complexity	121.000
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）

象形图	GHS05, GHS07
信号词	Danger
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H314: 造成严重的皮肤灼伤和眼睛损伤 H318: 造成严重的眼睛损伤
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 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。 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。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P271: 仅在室外或通风良好的地方使用。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P363: 再次使用之前，请清洗受污染的衣物。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。 P317: 寻求紧急医疗救助。 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。 P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。 P316: 立即寻求紧急医疗救助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	1
RTECS	YQ2275000
个人防护装备	dust mask type N95 (US),Eyeshields,Gloves

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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

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找到1个结果

批号(Lot Number)	证书类型	日期	货号
B2103020	分析证书	22-12-12	U109483

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

1. Linlin Wang, Lilong Wang, Nan Wang, Chen Song, Chengrong Wen, Shuang Song. (2024) Effects of chitosan and its oligosaccharide on gut microbiota and metabolites disturbed by excessive protein consumption in vivo and in vitro. Food Bioscience, 57 (103555). [10.1016/j.fbio.2023.103555]
2. Hongbo Yang, Jin Li, Jianfei Mao, Chan Xu, Jieyu Song, Feng Xie. (2023) Deep Eutectic Solvent-Based Dispersive Liquid–Liquid Microextraction Coupled with LC-MS/MS for the Analysis of Two Ochratoxins in Capsicum. MOLECULES, 28 (22): (7634). [PMID:38005355] [10.3390/molecules28227634]
3. Linlin Wang, Lilong Wang, Cui Cao, Jun Zhao, Chen Song, Zhijie Bao, Chunhong Yan, Shuang Song. (2023) Chitosan and its oligosaccharide accelerate colonic motility and reverse serum metabolites in rats after excessive protein consumption. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 253 (127072). [PMID:37774814] [10.1016/j.ijbiomac.2023.127072]
4. Yannan Chen, Siyuan Fei, Xiaoting Yu, Mingqian Tan. (2023) Dandelion (Taraxacum mongolicum) Extract Alleviated H2O2-Induced Oxidative Damage: The Underlying Mechanism Revealed by Metabolomics and Lipidomics. Foods, 12 (17): (3314). [PMID:37685246] [10.3390/foods12173314]
5. Zhibo Fu, Hongyang Zhang, Zhijun Zeng, Fanghong Ning, Ziwei Xu, Chenyu Liu, Min Zhang, Ping Hu. (2022) A pre-column derivatization high-performance liquid chromatography method for simultaneous determination of short-chain and medium-chain fatty acids in a fecal sample. JOURNAL OF SEPARATION SCIENCE, 46 (1): (2200671). [PMID:36285380] [10.1002/jssc.202200671]
6. Cui Cao, Linlin Wang, Chunqing Ai, Guiping Gong, Zhongfu Wang, Linjuan Huang, Shuang Song, Beiwei Zhu. (2022) Impact of Lycium barbarum arabinogalactan on the fecal metabolome in a DSS-induced chronic colitis mouse model. Food & Function, 13 (16): (8703-8716). [PMID:35912853] [10.1039/D2FO01283A]
7. Xu Jing, Xin Huang, Huihui Wang, Haoyue Xue, Beiqi Wu, Xiaowen Wang, Liyan Jia. (2021) Popping candy-assisted dispersive liquid–liquid microextraction for enantioselective determination of prothioconazole and its chiral metabolite in water, beer, Baijiu, and vinegar samples by HPLC. FOOD CHEMISTRY, 348 (129147). [PMID:33508607] [10.1016/j.foodchem.2021.129147]
8. Ma Xiao-yao, Zhang Man, Fang Ge, Cheng Chuan-jing, Wang Mu-kuo, Han Yi-man, Hou Xiao-tao, Hao Er-wei, Hou Yuan-yuan, Bai Gang. (2020) Ursolic acid reduces hepatocellular apoptosis and alleviates alcohol-induced liver injury via irreversible inhibition of CASP3 in vivo. ACTA PHARMACOLOGICA SINICA, 42 (7): (1101-1110). [PMID:33028983] [10.1038/s41401-020-00534-y]
9. Ningbo Geng, Yun Luo, Rong Cao, Xiaoyao Song, Fang Li, Feidi Wang, Yufeng Gong, Liguo Xing, Haijun Zhang, Jiping Chen. (2021) Effect of short-chain chlorinated paraffins on metabolic profiling of male SD rats. SCIENCE OF THE TOTAL ENVIRONMENT, 750 (141404). [PMID:33182165] [10.1016/j.scitotenv.2020.141404]
10. Dongmei Li, Xiaokang Na, Haitao Wang, Congcong Wang, Zihan Yuan, Bei-Wei Zhu, Mingqian Tan. (2020) The effects of carbon dots produced by the Maillard reaction on the HepG2 cell substance and energy metabolism. Food & Function, 11 (7): (6487-6495). [PMID:32628240] [10.1039/D0FO01350A]
11. Keqing Hu, Zongyao Huyan, Shaoxuan Ding, Yaoyao Dong, Xiuzhu Yu. (2020) Investigation on food packaging polymers: Effects on vegetable oil oxidation. FOOD CHEMISTRY, 315 (126299). [PMID:32028201] [10.1016/j.foodchem.2020.126299]
12. Jiaqi Wen, Yunguang Lu, Longyan Shi, Yaling Yang. (2020) A novel cloud point extraction based on fatty acid deep eutectic solvent combined with high-performance liquid chromatography for determination of ultraviolet absorbent in food packaging bags. MICROCHEMICAL JOURNAL, 153 (104466). [10.1016/j.microc.2019.104466]
13. Zongyao Huyan, Shaoxuan Ding, Xiaohui Mao, Caie Wu, Xiuzhu Yu. (2019) Effects of packaging materials on oxidative product formation in vegetable oils: Hydroperoxides and volatiles. Food Packaging and Shelf Life, 21 (100328). [10.1016/j.fpsl.2019.100328]
14. Dezhi Yang, Yingdong Wang, Jianbo Peng, Chun Xun, Yaling Yang. (2019) A green deep eutectic solvents microextraction coupled with acid-base induction for extraction of trace phenolic compounds in large volume water samples. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 178 (130). [PMID:31002967] [10.1016/j.ecoenv.2019.04.021]
15. Wang Meng, Jiao Yang, Cheng Chunsheng, Hua Jianhao, Yang Yaling. (2017) Nitrogen-doped carbon quantum dots as a fluorescence probe combined with magnetic solid-phase extraction purification for analysis of folic acid in human serum. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 409 (30): (7063-7075). [PMID:28971257] [10.1007/s00216-017-0665-3]
16. Lu Hu, Huazi Wang, Heng Qian, Chaoran Liu, Runhua Lu, Sanbing Zhang, Wenfeng Zhou, Haixiang Gao, Donghui Xu. (2016) Centrifuge-less dispersive liquid-liquid microextraction base on the solidification of switchable solvent for rapid on-site extraction of four pyrethroid insecticides in water samples. JOURNAL OF CHROMATOGRAPHY A, 1472 (1). [PMID:27771100] [10.1016/j.chroma.2016.10.013]

参考文献

1. Linlin Wang, Lilong Wang, Nan Wang, Chen Song, Chengrong Wen, Shuang Song. (2024) Effects of chitosan and its oligosaccharide on gut microbiota and metabolites disturbed by excessive protein consumption in vivo and in vitro. Food Bioscience, 57 (103555). [10.1016/j.fbio.2023.103555]
2. Hongbo Yang, Jin Li, Jianfei Mao, Chan Xu, Jieyu Song, Feng Xie. (2023) Deep Eutectic Solvent-Based Dispersive Liquid–Liquid Microextraction Coupled with LC-MS/MS for the Analysis of Two Ochratoxins in Capsicum. MOLECULES, 28 (22): (7634). [PMID:38005355] [10.3390/molecules28227634]
3. Linlin Wang, Lilong Wang, Cui Cao, Jun Zhao, Chen Song, Zhijie Bao, Chunhong Yan, Shuang Song. (2023) Chitosan and its oligosaccharide accelerate colonic motility and reverse serum metabolites in rats after excessive protein consumption. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 253 (127072). [PMID:37774814] [10.1016/j.ijbiomac.2023.127072]
4. Yannan Chen, Siyuan Fei, Xiaoting Yu, Mingqian Tan. (2023) Dandelion (Taraxacum mongolicum) Extract Alleviated H2O2-Induced Oxidative Damage: The Underlying Mechanism Revealed by Metabolomics and Lipidomics. Foods, 12 (17): (3314). [PMID:37685246] [10.3390/foods12173314]
5. Zhibo Fu, Hongyang Zhang, Zhijun Zeng, Fanghong Ning, Ziwei Xu, Chenyu Liu, Min Zhang, Ping Hu. (2022) A pre-column derivatization high-performance liquid chromatography method for simultaneous determination of short-chain and medium-chain fatty acids in a fecal sample. JOURNAL OF SEPARATION SCIENCE, 46 (1): (2200671). [PMID:36285380] [10.1002/jssc.202200671]
6. Cui Cao, Linlin Wang, Chunqing Ai, Guiping Gong, Zhongfu Wang, Linjuan Huang, Shuang Song, Beiwei Zhu. (2022) Impact of Lycium barbarum arabinogalactan on the fecal metabolome in a DSS-induced chronic colitis mouse model. Food & Function, 13 (16): (8703-8716). [PMID:35912853] [10.1039/D2FO01283A]
7. Xu Jing, Xin Huang, Huihui Wang, Haoyue Xue, Beiqi Wu, Xiaowen Wang, Liyan Jia. (2021) Popping candy-assisted dispersive liquid–liquid microextraction for enantioselective determination of prothioconazole and its chiral metabolite in water, beer, Baijiu, and vinegar samples by HPLC. FOOD CHEMISTRY, 348 (129147). [PMID:33508607] [10.1016/j.foodchem.2021.129147]
8. Ma Xiao-yao, Zhang Man, Fang Ge, Cheng Chuan-jing, Wang Mu-kuo, Han Yi-man, Hou Xiao-tao, Hao Er-wei, Hou Yuan-yuan, Bai Gang. (2020) Ursolic acid reduces hepatocellular apoptosis and alleviates alcohol-induced liver injury via irreversible inhibition of CASP3 in vivo. ACTA PHARMACOLOGICA SINICA, 42 (7): (1101-1110). [PMID:33028983] [10.1038/s41401-020-00534-y]
9. Ningbo Geng, Yun Luo, Rong Cao, Xiaoyao Song, Fang Li, Feidi Wang, Yufeng Gong, Liguo Xing, Haijun Zhang, Jiping Chen. (2021) Effect of short-chain chlorinated paraffins on metabolic profiling of male SD rats. SCIENCE OF THE TOTAL ENVIRONMENT, 750 (141404). [PMID:33182165] [10.1016/j.scitotenv.2020.141404]
10. Dongmei Li, Xiaokang Na, Haitao Wang, Congcong Wang, Zihan Yuan, Bei-Wei Zhu, Mingqian Tan. (2020) The effects of carbon dots produced by the Maillard reaction on the HepG2 cell substance and energy metabolism. Food & Function, 11 (7): (6487-6495). [PMID:32628240] [10.1039/D0FO01350A]
11. Keqing Hu, Zongyao Huyan, Shaoxuan Ding, Yaoyao Dong, Xiuzhu Yu. (2020) Investigation on food packaging polymers: Effects on vegetable oil oxidation. FOOD CHEMISTRY, 315 (126299). [PMID:32028201] [10.1016/j.foodchem.2020.126299]
12. Jiaqi Wen, Yunguang Lu, Longyan Shi, Yaling Yang. (2020) A novel cloud point extraction based on fatty acid deep eutectic solvent combined with high-performance liquid chromatography for determination of ultraviolet absorbent in food packaging bags. MICROCHEMICAL JOURNAL, 153 (104466). [10.1016/j.microc.2019.104466]
13. Zongyao Huyan, Shaoxuan Ding, Xiaohui Mao, Caie Wu, Xiuzhu Yu. (2019) Effects of packaging materials on oxidative product formation in vegetable oils: Hydroperoxides and volatiles. Food Packaging and Shelf Life, 21 (100328). [10.1016/j.fpsl.2019.100328]
14. Dezhi Yang, Yingdong Wang, Jianbo Peng, Chun Xun, Yaling Yang. (2019) A green deep eutectic solvents microextraction coupled with acid-base induction for extraction of trace phenolic compounds in large volume water samples. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 178 (130). [PMID:31002967] [10.1016/j.ecoenv.2019.04.021]
15. Wang Meng, Jiao Yang, Cheng Chunsheng, Hua Jianhao, Yang Yaling. (2017) Nitrogen-doped carbon quantum dots as a fluorescence probe combined with magnetic solid-phase extraction purification for analysis of folic acid in human serum. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 409 (30): (7063-7075). [PMID:28971257] [10.1007/s00216-017-0665-3]
16. Lu Hu, Huazi Wang, Heng Qian, Chaoran Liu, Runhua Lu, Sanbing Zhang, Wenfeng Zhou, Haixiang Gao, Donghui Xu. (2016) Centrifuge-less dispersive liquid-liquid microextraction base on the solidification of switchable solvent for rapid on-site extraction of four pyrethroid insecticides in water samples. JOURNAL OF CHROMATOGRAPHY A, 1472 (1). [PMID:27771100] [10.1016/j.chroma.2016.10.013]

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