4-Octadecyloxybenzaldehyde - ≥95% , CAS No.4105-95-7

CAS: 4105-95-7 Cat. No.: O160020 Summenformel: C₂₅H₄₂O₂ Molekulargewicht: 374.61 Beilstein Registry Number: 8(4)256

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1239921 | A825422 | O0223 | DTXSID30403247 | AS-59464 | T72440 | 4-Octadecyloxybenzaldehyde | 4-OCTADECYLOXY-BENZALDEHYDE | 4-Octadecyloxybenzaldehyde, >/=95% | 4-Pentylphenyl4-propylbenzoate | AKTNFINCBVUXEH-UHFFFAOYSA-N | MFCD00143357 | 4-(Octade

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL1239921 | A825422 | O0223 | DTXSID30403247 | AS-59464 | T72440 | 4-Octadecyloxybenzaldehyde | 4-OCTADECYLOXY-BENZALDEHYDE | 4-Octadecyloxybenzaldehyde, >/=95% | 4-Pentylphenyl4-propylbenzoate | AKTNFINCBVUXEH-UHFFFAOYSA-N | MFCD00143357 | 4-(Octade

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488194872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194872

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O

IUPAC Name

4-octadecoxybenzaldehyde

InChIKey

AKTNFINCBVUXEH-UHFFFAOYSA-N

INCHI

1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(23-26)19-21-25/h18-21,23H,2-17,22H2,1H3

Isomere SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O

Molekulargewicht

374.61

Beilstein

8(4)256

Reaxy-Rn

2155666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2155666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 240°C/2mmHg(lit.)
• Schmelzpunkt (°C): 53 °C
• Molekulargewicht: 374.600 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 374.318 Da
• Monoisotopic Mass: 374.318 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 307.000
• 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

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4105-95-7, the molecular formula is C25H42O2, and the molecular weight is 374.61 g/mol. InChIKey AKTNFINCBVUXEH-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.