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

CAS: 624-24-8 Cat. No.: M108214 分子式: C₆H₁₂O₂ 分子量: 116.16 Beilstein Registry Number: 1741905 EC番号: 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

同義語

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

仕様と純度

analytical standard, ≥99.8%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.8%(GC)

名前と識別子

パブケム・シド

508813549

カノニカル・スマイル

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

異性体SMILES

CCCCC(=O)OC

WGKドイツ

2

RTECS

YV7750500

UN番号

3272

包装グループ

II

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility in water: Practically insoluble; Soluble in Ethanol
• 屈折率: 1.4003
• 引火点（°F）: 71.6 °F
• 引火点（°C）: 22℃
• 沸点（°C）: 127.3°C
• 融点（°C）: -91.0°C
• 分子量: 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