Methyl tiglate - Reagent grade , CAS No.41725-90-0

CAS: 41725-90-0 Cat. No.: M479058 Formula: C₆H₁₀O₂ Peso molecolare: 114.14

GRADE & PURITY Reagent Grade

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

Specifications

Sinonimi

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

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

Sorrisi canonici

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+

Isomeri SMILES

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

Numero UN

3272

Peso molecolare

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
    • 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: 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
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 95.0 °F - closed cup
• Punto di infiammabilità (°C): 35 °C - closed cup
• Peso molecolare: 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

Domande frequenti

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 41725-90-0, 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.