Methyl Tiglate - ≥98%(GC) , CAS No.6622-76-0

CAS: 6622-76-0 Cat. No.: M158196 Fórmula: C₆H₁₀O₂ Peso molecular: 114.14 Número EC: 229-575-8

GRADE & PURITY ≥98%(GC)

Synonyms

methyl (E)-2-methylbut-2-enoate | Methyl alpha-methylcrotonate | Methyl trans-2-methylcrotonate | NSC 55277 | NCGC00015753-04 | EN300-98186 | AI3-35988 | Tiglic acid, methyl ester | Methyl 2-methylcrotonate | SCHEMBL306388 | METHYLTIGLATE | T0248 | methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl (E)-2-methylbut-2-enoate | Methyl alpha-methylcrotonate | Methyl trans-2-methylcrotonate | NSC 55277 | NCGC00015753-04 | EN300-98186 | AI3-35988 | Tiglic acid, methyl ester | Methyl 2-methylcrotonate | SCHEMBL306388 | METHYLTIGLATE | T0248 | methyl

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488195348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195348

Sonrisas canónicas

CC=C(C)C(=O)OC

IUPAC Name

methyl (E)-2-methylbut-2-enoate

InChIKey

YYJWBYNQJLBIGS-SNAWJCMRSA-N

INCHI

1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+

Isómeros SMILES

C/C=C(\C)/C(=O)OC

RTECS

EM9254600

Peso molecular

114.14

Reaxy-Rn

1741597

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741597&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Methyl esters 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 - Methyl 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.437
• Punto de inflamación (°F): 39 ℃
• Punto de inflamación (°C): 39 ℃
• Punto de ebullición (°C): 139°C
• Peso molecular: 114.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 114.000
• 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

Preguntas frecuentes

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 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 6622-76-0, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey YYJWBYNQJLBIGS-SNAWJCMRSA-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.