2-Methylpentyl Acetate - ≥98%(GC) , CAS No.7789-99-3

CAS: 7789-99-3 Cat. No.: M157993 Summenformel: C₈H₁₆O₂ Molekulargewicht: 144.21 Beilstein Registry Number: 2(4)160 EG-Nummer: 672-745-5

GRADE & PURITY ≥98%(GC)

Synonyms

1-Pentanol, 2-methyl-, 1-acetate | Acetic acid, 2-methylamyl ester | 2-Methylamylester kyseliny octove [Czech] | A1079 | ACETICACID2-METHYLPENTYLESTER | 2-methyl-1-pentyl acetate | Acetic acid 2-methylpentyl ester | DTXSID6052532 | ACETIC ACID, 2-METHYLPE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-Pentanol, 2-methyl-, 1-acetate | Acetic acid, 2-methylamyl ester | 2-Methylamylester kyseliny octove [Czech] | A1079 | ACETICACID2-METHYLPENTYLESTER | 2-methyl-1-pentyl acetate | Acetic acid 2-methylpentyl ester | DTXSID6052532 | ACETIC ACID, 2-METHYLPE

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Kanonisches Lächeln

CCCC(C)COC(=O)C

IUPAC Name

2-methylpentyl acetate

InChIKey

UZTVUHTZGGZFCI-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3

Isomere SMILES

CCCC(C)COC(=O)C

RTECS

AI9300000

Molekulargewicht

144.21

Beilstein

2(4)160

Reaxy-Rn

1749805

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749805&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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: 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

• Flammpunkt (°C): 47 °C
• Siedepunkt (°C): 160°C(lit.)
• Molekulargewicht: 144.210 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.400
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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 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 7789-99-3, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey UZTVUHTZGGZFCI-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.