2-Ethylbutyl Acetate - ≥98%(GC) , CAS No.10031-87-5

CAS: 10031-87-5 Cat. No.: E156156 Summenformel: C₈H₁₆O₂ Molekulargewicht: 144.21 Beilstein Registry Number: 2(4)161 EG-Nummer: 233-095-4

GRADE & PURITY ≥98%(GC)

Synonyms

FEMA No. 2425 | EINECS 233-095-4 | 2-ethylbutylacetat | 2-ethyl butyl acetate | Acetic Acid 2-Ethylbutyl Ester | Acetic acid, 2-ethylbutyl ester | UN1177 | 2-Ethylbutyl acetate | beta-Ethylbutyl acetate | UNII-R7S9T22253

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

FEMA No. 2425 | EINECS 233-095-4 | 2-ethylbutylacetat | 2-ethyl butyl acetate | Acetic Acid 2-Ethylbutyl Ester | Acetic acid, 2-ethylbutyl ester | UN1177 | 2-Ethylbutyl acetate | beta-Ethylbutyl acetate | UNII-R7S9T22253

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488183499

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183499

Kanonisches Lächeln

CCC(CC)COC(=O)C

IUPAC Name

2-ethylbutyl acetate

InChIKey

HQLKZWRSOHTERR-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3

Isomere SMILES

CCC(CC)COC(=O)C

UN-Nummer

1177

Verpackungsgruppe

III

Molekulargewicht

144.21

Beilstein

2(4)161

Reaxy-Rn

1746228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.41
• Flammpunkt (°C): 53 °C
• Siedepunkt (°C): 160 °C
• Molekulargewicht: 144.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.400
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 10031-87-5, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey HQLKZWRSOHTERR-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.