ácido 3-butenoico - ≥90%(GC) , CAS No.625-38-7

CAS: 625-38-7 Cat. No.: B152769 Peso molecular: 86.09 Beilstein Registry Number: 1699160 Número EC: 210-892-5

GRADE & PURITY ≥90%(GC)

Synonyms

NSC 44546 | Vinyl acetic acid | C4:1n-1 | CHEBI:35897 | NSC44546 | NSC-44546 | B4860 | Vinylessigsaeure | 2-propenylcarboxylic acid | NSC43973 | NSC-43973 | 3-buten-1-oic acid | beta-Butenoic acid | AI3-32117 | EINECS 210-892-5 | 3-Butenoic acid, purum, >

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

NSC 44546 | Vinyl acetic acid | C4:1n-1 | CHEBI:35897 | NSC44546 | NSC-44546 | B4860 | Vinylessigsaeure | 2-propenylcarboxylic acid | NSC43973 | NSC-43973 | 3-buten-1-oic acid | beta-Butenoic acid | AI3-32117 | EINECS 210-892-5 | 3-Butenoic acid, purum, >

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥90%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=CCC(=O)O
• IUPAC Name: but-3-enoic acid
• InChIKey: PVEOYINWKBTPIZ-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
• Isómeros SMILES: C=CCC(=O)O
• WGK Alemania: 2
• Número ONU: 3265
• Grupo de embalaje: II
• Peso molecular: 86.09
• Beilstein: 1699160
• Reaxy-Rn: 1699159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699159&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Fully miscible.
• Sensibilidad: Light&Heat sensitive
• Punto de inflamación (°F): 149 °F
• Punto de inflamación (°C): 65°C(lit.)
• Punto de ebullición (°C): 163°C(lit.)
• Punto de fusión (°C): -35°C(lit.)
• Peso molecular: 86.090 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 65.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Xinrui Yang, Yingying Xu, Xiaojin Huang, Junmeng Hang, Weiliang Guo, Zhihui Dai.  (2023)  Multicolor Iridium(III) Complexes with Host–Guest Recognition Motifs for Enhanced Electrochemiluminescence and Modular Labeling.  ANALYTICAL CHEMISTRY,      [PMID:36820622] [10.1021/acs.analchem.2c05698]

2. Xinyu Hu, Yongmei Wang, Liangliang Zhang, Man Xu, Jianfa Zhang, Wei Dong.  (2017)  Magnetic field-driven drug release from modified iron oxide-integrated polysaccharide hydrogel.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:29233710] [10.1016/j.ijbiomac.2017.12.018]

3. Sun Xiaodong, Li Yujie, Liu Xiaowan, Cui Dandan, Shi Yujiao, Huang Guojia.  (2024)  Tumor-specific enhanced NIR-II photoacoustic imaging via photothermal and low-pH coactivated AuNR@PNIPAM-VAA nanogel.  JOURNAL OF NANOBIOTECHNOLOGY,  22  (1): (1-14).  [PMID:38858673] [10.1186/s12951-024-02617-y]

4. 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]

5. Feng He, Aihong Wu, Chuanlai Xu, Hua Kuang, Aihua Qu.  (2026)  A Sensitive and Specific Dual-T-Line Immunochromatographic Assay Based on Rational Hapten Design for On-Site Rapid Detection of Fenazaquin in Food and Environmental Samples.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41493823] [10.1021/acs.jafc.5c14481]