4-Methoxybutanoic acid - ≥97% , CAS No.29006-02-8

CAS: 29006-02-8 Cat. No.: M192558 Formule: C₅H₁₀O₃ Poids moléculaire: 118.13 Numéro CE: 249-366-5

GRADE & PURITY ≥97%

Synonyms

4-Methoxybutanoicacid | A876558 | EN300-43031 | Z316258912 | Butanoic acid, 4-methoxy | Butanoic acid, 4-methoxy- | FT-0703853 | M3329 | 4-(methyloxy)butanoic acid | SY045907 | Butyric acid, 4-methoxy- | J-017352 | DTXSID70183218 | EINECS 249-366-5 | MFCD

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-Methoxybutanoicacid | A876558 | EN300-43031 | Z316258912 | Butanoic acid, 4-methoxy | Butanoic acid, 4-methoxy- | FT-0703853 | M3329 | 4-(methyloxy)butanoic acid | SY045907 | Butyric acid, 4-methoxy- | J-017352 | DTXSID70183218 | EINECS 249-366-5 | MFCD

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488186697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186697
• Sourires canoniques: COCCCC(=O)O
• IUPAC Name: 4-methoxybutanoic acid
• InChIKey: VRRCYIFZBSJBAT-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)
• Isomères SMILES: COCCCC(=O)O
• Poids moléculaire: 118.13
• Reaxy-Rn: 1744865
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744865&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'éclair (°C): 92 °C
• Point d'ébullition (°C): 228 °C
• Point de fusion (°C): 228 °C
• Poids moléculaire: 118.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29006-02-8, the molecular formula is C5H10O3, and the molecular weight is 118.13 g/mol. InChIKey VRRCYIFZBSJBAT-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.