Methyl valerate - analytical standard, ≥99.8%(GC) , CAS No.624-24-8

CAS: 624-24-8 Cat. No.: M108214 Fórmula: C₆H₁₂O₂ Peso molecular: 116.16 Beilstein Registry Number: 1741905 Número CE: 210-838-0

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

n-Valeric acid methyl ester [standard material] | Valeric acid-methyl ester | V0005 | FEMA 2752 | LMFA07010966 | Valeric acid, methyl ester | FEMA No. 2752 | Pentanoic acid, methyl ester | DTXSID9060784 | Q388740 | EINECS 210-838-0 | UNII-ZW21JJJ9VN | SCH

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

n-Valeric acid methyl ester [standard material] | Valeric acid-methyl ester | V0005 | FEMA 2752 | LMFA07010966 | Valeric acid, methyl ester | FEMA No. 2752 | Pentanoic acid, methyl ester | DTXSID9060784 | Q388740 | EINECS 210-838-0 | UNII-ZW21JJJ9VN | SCH

Especificações e pureza

analytical standard, ≥99.8%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Pureza

≥99.8%(GC)

Nomes e identificadores

• Pubchem Sid: 508813549
• Sorrisos canónicos: CCCCC(=O)OC
• IUPAC Name: methyl pentanoate
• InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
• SMILES isoméricas: CCCCC(=O)OC
• WGK Alemanha: 2
• RTECS: YV7750500
• Número UN: 3272
• Grupo de embalagem: II
• Peso molecular: 116.16
• Beilstein: 1741905
• Reaxy-Rn: 1741905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Practically insoluble; Soluble in Ethanol
• Índice de refração: 1.4003
• Ponto de inflamação (°F): 71.6 °F
• Ponto de inflamação (°C): 22℃
• Ponto de ebulição (°C): 127.3°C
• Ponto de fusão (°C): -91.0°C
• Peso molecular: 116.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.900
• 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

Referências

1. Linchuan Cong, Yupeng Wu, Nan Lin, Xinxin Li, Fangbing Liu, Fuyu Han, Jin Yang, Ciduo Wang, Haibo Lin.  (2023)  Boosting decarboxylation of monomethyl adipate coupling to dimethyl sebacate through Pt electrode at high current density.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148331]

2. Liyang Liu, Haiying Lu, Chao Han, Xianfei Chen, Sucheng Liu, Jiakui Zhang, Xianghong Chen, Xinyi Wang, Rui Wang, Jiantie Xu, Hua Kun Liu, Shi Xue Dou, Weijie Li.  (2023)  Salt Anion Amphiphilicity-Activated Electrolyte Cosolvent Selection Strategy toward Durable Zn Metal Anode.  ACS Nano,      [PMID:37948160] [10.1021/acsnano.3c08716]

3. Xiong Zheng, Dan Qu, Yanqiong Bao, Guangzhao Qin, Yu Liu, Qinlan Luo.  (2021)  Experimental Studies of Thermal Conductivity of Three Biodiesel Compounds: Methyl Pentanoate, Methyl Octanoate, and Methyl Decanoate.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.1c00702]

4. Jing Fan, Qi Liu, Fenhong Song, Xiaopo Wang, Lihui Zhang.  (2018)  Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2018.05.019]

5. Linchuan Cong, Xinxin Li, Fuyu Han, Yupeng Wu, Kewen Ma, Ciduo Wang, Nan Lin, Haibo Lin.  (2025)  Electrode interfacial wettability engineering for high-efficiency synthesis of dimethyl sebacate via Kolbe electrolysis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171314]