Propyl acetate - AR, ≥99% , CAS No.109-60-4

CAS: 109-60-4 Cat. No.: P103883 分子式: C₅H₁₀O₂ 分子量: 102.13 Beilstein Registry Number: 1740764 EC番号: 203-686-1

GRADE & PURITY AR, ≥99%

Synonyms

HSDB 161 | Propylester kyseliny octove | Acetic acid, n-propyl ester | Acetic acid n-propyl ester | CHEBI:40116 | PROPYL ACETATE [INCI] | UN1276 | N-PROPYL ACETATE | Q415750 | ACETIC ACID, N-PROPYL ETHER | 4-02-00-00138 (Beilstein Handbook Reference) | PR

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

同義語

HSDB 161 | Propylester kyseliny octove | Acetic acid, n-propyl ester | Acetic acid n-propyl ester | CHEBI:40116 | PROPYL ACETATE [INCI] | UN1276 | N-PROPYL ACETATE | Q415750 | ACETIC ACID, N-PROPYL ETHER | 4-02-00-00138 (Beilstein Handbook Reference) | PR

仕様と純度

AR, ≥99%

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

等級

AR

純度

≥99%

名前と識別子

• パブケム・シド: 488180644
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180644
• カノニカル・スマイル: CCCOC(=O)C
• IUPAC Name: propyl acetate
• InChIKey: YKYONYBAUNKHLG-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
• 異性体SMILES: CCCOC(=O)C
• WGKドイツ: 1
• RTECS: AJ3675000
• UN番号: 1276
• 包装グループ: II
• 分子量: 102.13
• Beilstein: 1740764
• Reaxy-Rn: 1740764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740764&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with alcohols, ketones, aldehydes, ethers, glycols and glycol ethers. Slightly soluble in water.
• 屈折率: 1.384
• 引火点（°F）: 53.2 °F
• 引火点（°C）: 11.8 °C
• 沸点（°C）: 102°C
• 融点（°C）: -95°C
• 分子量: 102.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

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.

What does AR mean?

AR 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. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 109-60-4, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey YKYONYBAUNKHLG-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.