4-Propionyloxybenzaldehyde - ≥95% , CAS No.50262-48-1

CAS: 50262-48-1 Cat. No.: B301263 Formula: C₁₀H₁₀O₃ Peso molecolare: 178.19 Numero EC: 681-002-4

GRADE & PURITY ≥95%

Synonyms

4-(propanyloxy)-benzaldehyde | 4-formylphenyl propanoate | P-FORMYLPHENYL PROPIONATE | 4-Formylphenyl propionate | 4-Formylphenyl propionate # | p-Propionoxybenzaldehyde | STK502429 | (S,S)-(+)-N,N-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-(propanyloxy)-benzaldehyde | 4-formylphenyl propanoate | P-FORMYLPHENYL PROPIONATE | 4-Formylphenyl propionate | 4-Formylphenyl propionate # | p-Propionoxybenzaldehyde | STK502429 | (S,S)-(+)-N,N-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488187756
• Sorrisi canonici: CCC(=O)OC1=CC=C(C=C1)C=O
• IUPAC Name: (4-formylphenyl) propanoate
• InChIKey: NKXPJXVTMWLHBC-UHFFFAOYSA-N
• INCHI: 1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
• Isomeri SMILES: CCC(=O)OC1=CC=C(C=C1)C=O
• Peso molecolare: 178.19
• Reaxy-Rn: 2966420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2966420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Benzaldehyde - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and 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): >110°C
• Punto di ebollizione (°C): 132-136°/0.5mm
• Peso molecolare: 178.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.063 Da
• Monoisotopic Mass: 178.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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 ≥95% 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 50262-48-1, the molecular formula is C10H10O3, and the molecular weight is 178.19 g/mol. InChIKey NKXPJXVTMWLHBC-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.