Ethylacetate - anhydrous, ≥99.8% , CAS No.141-78-6

CAS: 141-78-6 Cat. No.: E119698 Formula: C₄H₈O₂ Molecular Weight: 88.11 Beilstein Registry Number: 506104 EC Number: 205-500-4

GRADE & PURITY Anhydrous Grade, ≥99.8%

Synonyms

ethyl aceate | ETHYL ACETATE [FCC] | Ethyle(acetate d') | acetic acid ethyl | acetic ethyl ester | DTXSID1022001 | Etile (acetato di) [Italian] | ETHYL ACETATE (EP MONOGRAPH) | Ethyl acetate (natural) | CH3COOC2H5 | ethy acetate | Ethyl acetate [NF] | ETH

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

ethyl aceate | ETHYL ACETATE [FCC] | Ethyle(acetate d') | acetic acid ethyl | acetic ethyl ester | DTXSID1022001 | Etile (acetato di) [Italian] | ETHYL ACETATE (EP MONOGRAPH) | Ethyl acetate (natural) | CH3COOC2H5 | ethy acetate | Ethyl acetate [NF] | ETH

Specifications & Purity

anhydrous, ≥99.8%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99.8%

Names and Identifiers

• Pubchem Sid: 504751750
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751750
• Canonical Smiles: CCOC(=O)C
• IUPAC Name: ethyl acetate
• InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
• Isomeric SMILES: CCOC(=O)C
• WGK Germany: 1
• RTECS: AH5425000
• UN Number: 1173
• Packing Group: II
• Molecular Weight: 88.11
• Beilstein: 506104
• Reaxy-Rn: 506104
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506104&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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: a small molecule

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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

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CTSB Tchem Cathepsin B (3822 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HL-60 (67320 Activities)

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KG-1 (867 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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LMNA Tbio Prelamin-A/C (36751 Activities)

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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CTSL Cathepsin L (58 Activities)

Discover Target: CTSL

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Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bacillus cereus (7522 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.3720
• Flash Point(°C): -3°C
• Boil Point(°C): 76.5-77.5 °C
• Melt Point(°C): -84 °C
• Molecular Weight: 88.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.500
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99.8% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 141-78-6, the molecular formula is C4H8O2, and the molecular weight is 88.11 g/mol. InChIKey XEKOWRVHYACXOJ-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.