Crotonic acid - Standard for GC, ≥99.9%(GC) , CAS No.107-93-7

CAS: 107-93-7 Cat. No.: C104150 분자식: C₄H₆O₂ 분자량: 86.09 Beilstein Registry Number: 1719943 EC 번호: 203-533-9

GRADE & PURITY Standard for GC, ≥99.9%(GC)

Synonyms

DTXSID30880973 | alpha-Crotonic acid | (E)-but-2-enoate | 2-Butenoic acid, (E)- | EINECS 223-077-4 | NCGC00259279-01 | Crotonic acid, liquid | NSC 206946 | UN2823 | DB02074 | (2E)-but-2-enoate | 2-butenoic acid, (2E)- | 2-Butenoicacid | alpha-Butenoic aci

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

개요

Crotonic acid undergoes esterification with butan-2-ol by following second order reaction kinetics.

Specifications

동의어

DTXSID30880973 | alpha-Crotonic acid | (E)-but-2-enoate | 2-Butenoic acid, (E)- | EINECS 223-077-4 | NCGC00259279-01 | Crotonic acid, liquid | NSC 206946 | UN2823 | DB02074 | (2E)-but-2-enoate | 2-butenoic acid, (2E)- | 2-Butenoicacid | alpha-Butenoic aci

사양 및 순도

Standard for GC, ≥99.9%(GC)

애플리케이션

Crotonic acid is used in the copolymerization of crotonic acid hydrogel systems by using gamma-rays. The crosslinked copolymeric crotonic acid hydrogels release fertilizers and drugs that help to prevent environmental pollution.

보관 조건

Room temperature,Argon charged,Desiccated

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99.9%(GC)

이름과 식별자

• Pubchem Sid: 508813378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813378
• 정식 스마일: CC=CC(=O)O
• IUPAC Name: (E)-but-2-enoic acid
• InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N
• INCHI: 1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
• 이성체 SMILES: C/C=C/C(=O)O
• WGK 독일: 3
• RTECS: GQ2900000
• UN 번호: 2823
• 포장 그룹: III
• 분자량: 86.09
• Beilstein: 1719943
• Reaxy-Rn: 1098434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098434&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Unsaturated fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

SRR Tbio Serine racemase (249 Activities)

Discover Target: SRR

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

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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관련 대상(비인간)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus hirae (484 Activities)

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Mus musculus (284745 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, soluble in ethanol, toluene, acetone, etc.
• 감도: Air sensitive
• 굴절률: 1.4228
• 발화점(°F): 190.4 °F
• 발화점(°C): 88℃
• 끓는점(°C): 185°C
• 녹는점(°C): 71.6°C
• 분자량: 86.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 73.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Fangfei Qin, Boyuan Li, Hui Wang, Sihui Ma, Jiaofeng Li, Shanglin Liu, Linghao Kong, Huangtao Zheng, Rongfeng Zhu, Yu Han, Mingdong Yang, Kai Li, Xiong Ji, Peng R. Chen.  (2023)  Linking chromatin acylation mark-defined proteome and genome in living cells.  CELL,      [PMID:36868209] [10.1016/j.cell.2023.02.007]

2. Lijun Gao, Liuyang Li, Yunqiu Li, Congcong He, Liming Zhou, Xiongwei Qu, Shaoming Fang.  (2023)  Effects of Europium Complex on Thermal and Photoluminescence Properties of Polyurethane-Europium Materials.  Polymers,  15  (5): (1064).  [PMID:36904305] [10.3390/polym15051064]

3. Hang Zhang, Shimin Kang, Jietai Li, Zhilin Li, Jie Chang, Yongjun Xu, Gaoqing Max Lu, Chenghua Sun.  (2020)  Near zero-waste biofuel production from bioderived polyhydroxybutyrate.  FUEL,      [PMID:] [10.1016/j.fuel.2020.119405]

4. Yuan Wang, Cailv Zheng, Yilin Wang, Hanxiang Chen, Yun Xu.  (2018)  Thermodynamic validation of double bond comprised ionic liquids for CO2 capture.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2018.11.019]

5. Zheng Cao, Yonghong Hu, Yumei Kai, Jiaojiao Li, Wenbiao Zhi, Wenge Yang.  (2013)  Solubilities of crotonic acid in different organic solvents at several temperatures from (278.15 to 333.15) K.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2013.06.038]

6. Baoming Tian, Xue Zhou, Yan Geng, Jiangning Hu, Bangwei Ye, Peilong Sun, Kai Yang.  (2024)  Characterization and in vitro digestion of alkali-extracted polysaccharides from Grifola frondosa and its impacts on human gut microbiota.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.104499]

7. Zhentao Yao, Ge Zhang, Xin Wang, Jinjun Li, Yuting Qi, Yuanrong Jiang, Jie Gu, Liying Zhu, Xianrong Xu, Xiaoqiong Li.  (2024)  Microbiota responses to different brans are conserved within individuals and associated with processing parameters.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.104197]

8. Hong Cheng-Bin, Hua Wangde, Liu Lieke, Liu Haichao.  (2025)  Sustainable synthesis of α-ketoglutaric and methanetriacetic acids from biomass feedstocks.  Nature Communications,  16  (1): (1-8).  [PMID:39893175] [10.1038/s41467-025-56536-z]

9. Weijie Yang, Runping Wang, Lingqi Wang, Zhijian Tan.  (2024)  Switchable deep eutectic solvents for the extraction of phlorizin and trilobatin from sweet tea (Lithocarpus litseifolius (Hance) Chun).  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129898]

10. Qingyan Yin, Xingwei Jiang, Huifeng Liu, Peiyue Wang, Xiaodong Su, Jun Zhang, Xinjian Lei, Junhu Yao.  (2025)  Enhancing milk quality and modulating plasma lipid metabolism of lactating dairy goats: The impact of bile acid supplementation.  Animal Nutrition,      [PMID:40896488] [10.1016/j.aninu.2024.12.008]

11. Baoming Tian, Xue Zhou, Shuo Pan, Wei Liu.  (2025)  Extraction, Characterization, and Impact of Polysaccharides From Zhonghuang No. 1 Etiolated-Green Tea on Human Fecal Microbiota.  Food Bioengineering,  4  (2): (166-181).  [PMID:] [10.1002/fbe2.70016]

12. Yanqin Zhu, Le Wang, Jinwen Zhao, Jiazhong Zhang, Qinhong Yin.  (2025)  A molecular imprinted fluorescence sensor based on EDTA-Cu quantum dots for methamphetamine recognition.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41061422] [10.1016/j.saa.2025.127001]

13. Pinjiao Huang, Jiangning Hu, Kai Yang, Baoming Tian.  (2025)  Digestion characteristics of Changyanning formula and its regulatory effect on fecal microbiota and metabolites during in vitro fermentation.  FITOTERAPIA,      [PMID:41135752] [10.1016/j.fitote.2025.106949]

14. Zhaozhao Gao, Xingjia Xiang, Meng Yan, Yongqi Liu, Yucheng Wu, Xin Song, Xiangui Lin, Frank E. Löffler, Jun Zeng.  (2025)  Cometabolic defluorination of two poly-fluoroalkyl substances by a new Sphingopyxis isolate.  WATER RESEARCH,      [PMID:41389424] [10.1016/j.watres.2025.125149]