2-Methylbutyl Acetate - ≥99% , CAS No.624-41-9

CAS: 624-41-9 Cat. No.: M111920 Formula: C₇H₁₄O₂ Peso molecolare: 130.18 Numero EC: 210-843-8

QUALITÀ & PUREZZA ≥99%

Synonyms

2-METHYLBUTYL ACETATE [FCC] | MFCD00040494 | SCHEMBL309720 | 2-Methybutyl acetate | InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3 | 2-Methylbutyl acetate, analytical standard | CAS-624-41-9 | F87378 | FEMA No. 3644 | NCGC00258437-01 | starbld0000221

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2-METHYLBUTYL ACETATE [FCC] | MFCD00040494 | SCHEMBL309720 | 2-Methybutyl acetate | InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3 | 2-Methylbutyl acetate, analytical standard | CAS-624-41-9 | F87378 | FEMA No. 3644 | NCGC00258437-01 | starbld0000221

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488181587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181587

Sorrisi canonici

CCC(C)COC(=O)C

IUPAC Name

2-methylbutyl acetate

InChIKey

XHIUFYZDQBSEMF-UHFFFAOYSA-N

INCHI

1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3

Isomeri SMILES

CCC(C)COC(=O)C

WGK Germania

1

RTECS

EL5466666

Numero UN

1104

Peso molecolare

130.18

Reaxy-Rn

1720551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720551&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 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: acetate ester

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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.401
• Punto di infiammabilità (°F): 35 °C
• Punto di infiammabilità (°C): 35°C
• Punto di ebollizione (°C): 138°C
• Peso molecolare: 130.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099 Da
• Monoisotopic Mass: 130.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 88.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 624-41-9, the molecular formula is C7H14O2, and the molecular weight is 130.18 g/mol. InChIKey XHIUFYZDQBSEMF-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.