Ethyl Levulinate - ≥99% , CAS No.539-88-8

CAS: 539-88-8 Cat. No.: E117674 Formule: C₇H₁₂O₃ Poids moléculaire: 144.17 Beilstein Registry Number: 507641 Numéro CE: 208-728-2

GRADE & PURITY ≥99%

Synonyms

CAS-539-88-8 | ETHYL LEVULINATE | Ethyl4-oxopentanoate | Ethyl levulinate, 99% | BCP30245 | ETHYL LEVULINATE [FCC] | Ethyl levulinate, >=98%, FCC, FG | ethyllevulinate | Ethyl 4-ketovalerate | ETHYL LEVULINATE [MI] | NSC 24876 | Pentanoic acid, 4-oxo-, et

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

CAS-539-88-8 | ETHYL LEVULINATE | Ethyl4-oxopentanoate | Ethyl levulinate, 99% | BCP30245 | ETHYL LEVULINATE [FCC] | Ethyl levulinate, >=98%, FCC, FG | ethyllevulinate | Ethyl 4-ketovalerate | ETHYL LEVULINATE [MI] | NSC 24876 | Pentanoic acid, 4-oxo-, et

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488181210

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181210

Sourires canoniques

CCOC(=O)CCC(=O)C

IUPAC Name

ethyl 4-oxopentanoate

InChIKey

GMEONFUTDYJSNV-UHFFFAOYSA-N

INCHI

1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

Isomères SMILES

CCOC(=O)CCC(=O)C

WGK Allemagne

2

RTECS

OI1700000

Poids moléculaire

144.17

Beilstein

507641

Reaxy-Rn

507641

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma-keto acids and derivatives
• Alternative Parents: Fatty acid esters Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Fatty acid ester - Fatty acyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Indice de réfraction: 1.422
• Point d'éclair (°F): 201.2 °F
• Point d'éclair (°C): 94°C
• Point d'ébullition (°C): 93-94°C
• Poids moléculaire: 144.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 539-88-8, the molecular formula is C7H12O3, and the molecular weight is 144.17 g/mol. InChIKey GMEONFUTDYJSNV-UHFFFAOYSA-N.

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.