2-Methoxybutyl Acetate - ≥97%(GC) , CAS No.1173168-18-7

CAS: 1173168-18-7 Cat. No.: M158006 Formula: C₇H₁₄O₃ Peso molecolare: 146.19 Numero EC: 876-091-3

GRADE & PURITY ≥97%(GC)

Synonyms

DTXSID90566680 | YWB16818 | Acetic Acid 2-Methoxybutyl Ester | AKOS037645471 | 1173168-18-7 | MFCD06797047 | 2-methoxybutylacetate | SCHEMBL139623 | 1-Butanol, 2-methoxy-, 1-acetate | AS-60937 | D88464 | 2-Methoxybutyl Acetate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID90566680 | YWB16818 | Acetic Acid 2-Methoxybutyl Ester | AKOS037645471 | 1173168-18-7 | MFCD06797047 | 2-methoxybutylacetate | SCHEMBL139623 | 1-Butanol, 2-methoxy-, 1-acetate | AS-60937 | D88464 | 2-Methoxybutyl Acetate

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488198782

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198782

Sorrisi canonici

CCC(COC(=O)C)OC

IUPAC Name

2-methoxybutyl acetate

InChIKey

ZWUWDFWEMWMTHX-UHFFFAOYSA-N

INCHI

1S/C7H14O3/c1-4-7(9-3)5-10-6(2)8/h7H,4-5H2,1-3H3

Isomeri SMILES

CCC(COC(=O)C)OC

Peso molecolare

146.19

Reaxy-Rn

27523664

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27523664&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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 57 °C
• Peso molecolare: 146.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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, and how is it determined?

This product is supplied at ≥97% 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 1173168-18-7, the molecular formula is C7H14O3, and the molecular weight is 146.19 g/mol. InChIKey ZWUWDFWEMWMTHX-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.