ethyl 2-cyclobutylacetate - ≥97% , CAS No.38353-27-4

CAS: 38353-27-4 Cat. No.: E638245 분자식: C₈H₁₄O₂ 분자량: 142.2 PubChem CID: 14322004

GRADE & PURITY ≥97%

Synonyms

SB12962 | Ethyl 2-cyclobutylacetate | Cyclobutyl-acetic acid ethyl ester | DTXSID90558888 | ETHYL2-CYCLOBUTYLACETATE | AS-42083 | MFCD09953134 | JPXIQOLOFKDUFB-UHFFFAOYSA-N | SY240747 | A873858 | Ethyl cyclobutylacetate | FT-0749378 | SCHEMBL1881523 | AKO

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

SB12962 | Ethyl 2-cyclobutylacetate | Cyclobutyl-acetic acid ethyl ester | DTXSID90558888 | ETHYL2-CYCLOBUTYLACETATE | AS-42083 | MFCD09953134 | JPXIQOLOFKDUFB-UHFFFAOYSA-N | SY240747 | A873858 | Ethyl cyclobutylacetate | FT-0749378 | SCHEMBL1881523 | AKO

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: CCOC(=O)CC1CCC1
• IUPAC Name: ethyl 2-cyclobutylacetate
• InChIKey: JPXIQOLOFKDUFB-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c1-2-10-8(9)6-7-4-3-5-7/h7H,2-6H2,1H3
• 이성체 SMILES: CCOC(=O)CC1CCC1
• 대체 CAS: 38353-27-4
• PubChem CID: 14322004
• 분자량: 142.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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 homomonocyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 142.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

자주 묻는 질문

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.

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 38353-27-4, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey JPXIQOLOFKDUFB-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.