Crotonic Acid Butyl Ester - ≥95% , CAS No.7299-91-4

CAS: 7299-91-4 Cat. No.: B293404 Formula: C₈H₁₄O₂ Peso molecolare: 142.2 Numero EC: 230-742-2

GRADE & PURITY ≥95%

Synonyms

trans-Butyl crotonate | n-Butyl crotonate | Q10261807 | FRUTALONE | Butyl crotonate, trans- | Butyl trans-but-2-enoate | UNII-K9A7JVP79T | EINECS 230-742-2 | SCHEMBL109750 | (E)-2-Butenoic acid butyl ester | 2-Butenoic acid, butyl ester, (2E)- | 2-Benzoth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

trans-Butyl crotonate | n-Butyl crotonate | Q10261807 | FRUTALONE | Butyl crotonate, trans- | Butyl trans-but-2-enoate | UNII-K9A7JVP79T | EINECS 230-742-2 | SCHEMBL109750 | (E)-2-Butenoic acid butyl ester | 2-Butenoic acid, butyl ester, (2E)- | 2-Benzoth

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504763757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763757

Sorrisi canonici

CCCCOC(=O)C=CC

IUPAC Name

butyl (E)-but-2-enoate

InChIKey

GWCTUKHUBWMAMI-GQCTYLIASA-N

INCHI

1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+

Isomeri SMILES

CCCCOC(=O)/C=C/C

RTECS

GQ3200000

Peso molecolare

142.2

Reaxy-Rn

1752070

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752070&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Obiettivi associati (non umani)

Aspergillus niger (16508 Activities)

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Candida albicans (78123 Activities)

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Mucor mucedo (338 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.43
• Punto di infiammabilità (°F): 64°C(lit.)
• Punto di infiammabilità (°C): 64°C(lit.)
• Punto di ebollizione (°C): 180°C
• Peso molecolare: 142.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• 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: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 7299-91-4, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey GWCTUKHUBWMAMI-GQCTYLIASA-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.