trans-4-Ethoxy-phenyl 4-propylcyclohexanecarboxylate - ≥98% , CAS No.67589-39-3

CAS: 67589-39-3 Cat. No.: T347335 Formule: C₁₈H₂₆O₃ Poids moléculaire: 290.40 Numéro CE: 266-744-5 PubChem CID: 106716

GRADE & PURITY ≥98%

Synonyms

4-Ethoxyphenyl 4-propylcyclohexanecarboxylate # | (4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate | 4-PropylcyclohexanecarboxylicAcid4-EthoxyphenylEster | 4-Ethoxyphenyl trans-4-propylcyclohexanecarboxylate | DCCOHKNJQHHEHV-SHTZXODSSA-N | SY247842 | DS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-Ethoxyphenyl 4-propylcyclohexanecarboxylate # | (4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate | 4-PropylcyclohexanecarboxylicAcid4-EthoxyphenylEster | 4-Ethoxyphenyl trans-4-propylcyclohexanecarboxylate | DCCOHKNJQHHEHV-SHTZXODSSA-N | SY247842 | DS

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504756605
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756605
• Sourires canoniques: CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
• IUPAC Name: (4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
• InChIKey: DCCOHKNJQHHEHV-UHFFFAOYSA-N
• INCHI: 1S/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3
• Isomères SMILES: CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
• PubChem CID: 106716
• Poids moléculaire: 290.40

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 Phenol ethers Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: (soluble): methanol
• Poids moléculaire: 290.400 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 290.188 Da
• Monoisotopic Mass: 290.188 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 300.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 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 67589-39-3, the molecular formula is C18H26O3, and the molecular weight is 290.40 g/mol. InChIKey DCCOHKNJQHHEHV-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.