Propyl phenylacetate - ≥98% , CAS No.106-36-5

CAS: 106-36-5 Cat. No.: P111531 Formula: C₆H₁₂O Peso molecolare: 116.16 Beilstein Registry Number: 1699993 Numero EC: 203-389-7

GRADE & PURITY ≥98%

Synonyms

NSC 72022 | Tox21_301107 | n-Propyl propanoate | Propyl ester of propanoic acid | Propanoic acid, propyl ester | Propyl-propanoate | MFCD00009373 | n-Propylpropropionate | UNII-G09TRV00GK | FT-0631593 | MCSINKKTEDDPNK-UHFFFAOYSA-N | AMY21939 | chlorhexidi

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

NSC 72022 | Tox21_301107 | n-Propyl propanoate | Propyl ester of propanoic acid | Propanoic acid, propyl ester | Propyl-propanoate | MFCD00009373 | n-Propylpropropionate | UNII-G09TRV00GK | FT-0631593 | MCSINKKTEDDPNK-UHFFFAOYSA-N | AMY21939 | chlorhexidi

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488180567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180567
• Sorrisi canonici: CCCOC(=O)CC
• IUPAC Name: propyl propanoate
• InChIKey: MCSINKKTEDDPNK-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
• Isomeri SMILES: CCCOC(=O)CC
• WGK Germania: 1
• RTECS: UF7100000
• Numero UN: 3272
• Peso molecolare: 116.16
• Beilstein: 1699993
• Reaxy-Rn: 1699993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699993&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: Wax monoesters

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: 1.3935
• Punto di infiammabilità (°F): 66.2 °F
• Punto di infiammabilità (°C): 19℃
• Punto di ebollizione (°C): 122-124°C
• Punto di fusione (°C): -76°C
• Peso molecolare: 116.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.900
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 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 106-36-5, the molecular formula is C6H12O, and the molecular weight is 116.16 g/mol. InChIKey MCSINKKTEDDPNK-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.