Ethyl but-3-enoate - ≥98% , CAS No.1617-18-1

CAS: 1617-18-1 Cat. No.: E587504 Summenformel: C₆H₁₀O₂ Molekulargewicht: 114.14 EG-Nummer: ‘918-692-6

GRADE & PURITY ≥98%

Synonyms

AMY30553 | Benzenepropanoic acid, 4-bromo-.beta.-oxo-, ethyl ester | ethylbut-3-enoate | SB34050 | DTXSID9074698 | NSC 44507 | AI3-17636 | ethyl but-3-enoate | SY025896 | BUT-3-ENOIC ACID ETHYL ESTER (CONTAINS <30PPM MEHQ AS INHIBITOR) | SCHEMBL12115337 |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AMY30553 | Benzenepropanoic acid, 4-bromo-.beta.-oxo-, ethyl ester | ethylbut-3-enoate | SB34050 | DTXSID9074698 | NSC 44507 | AI3-17636 | ethyl but-3-enoate | SY025896 | BUT-3-ENOIC ACID ETHYL ESTER (CONTAINS <30PPM MEHQ AS INHIBITOR) | SCHEMBL12115337 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508811346

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811346

Kanonisches Lächeln

CCOC(=O)CC=C

IUPAC Name

ethyl but-3-enoate

InChIKey

BFMKFCLXZSUVPI-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3

Isomere SMILES

CCOC(=O)CC=C

NSC-Nummer

NSC Number': ['44507

Molekulargewicht

114.14

Reaxy-Rn

1744976

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744976&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 114.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.500
• 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