4-octylbenzaldehyde - ≥97% , CAS No.49763-66-8

CAS: 49763-66-8 Cat. No.: O133724 Formule: C₁₅H₂₂O Poids moléculaire: 218.33 Numéro CE: 803-911-9

QUALITÉ & PURETÉ ≥97%

Synonyms

A871725 | AKOS015960335 | FT-0619311 | Benzaldehyde, 4-octyl- | IHKVZPVHTKOSLW-UHFFFAOYSA-N | DTXSID0068521 | 4-Octylbenzaldehyde, AldrichCPR | p-octylbenzaldehyde | AC-10355 | SCHEMBL177373 | p-Octylbenzaldehyde, l | 4-N-OCTYLBENZALDEHYDE | FT-0639878 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

A871725 | AKOS015960335 | FT-0619311 | Benzaldehyde, 4-octyl- | IHKVZPVHTKOSLW-UHFFFAOYSA-N | DTXSID0068521 | 4-Octylbenzaldehyde, AldrichCPR | p-octylbenzaldehyde | AC-10355 | SCHEMBL177373 | p-Octylbenzaldehyde, l | 4-N-OCTYLBENZALDEHYDE | FT-0639878 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CCCCCCCCC1=CC=C(C=C1)C=O

IUPAC Name

4-octylbenzaldehyde

InChIKey

IHKVZPVHTKOSLW-UHFFFAOYSA-N

INCHI

1S/C15H22O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-13H,2-8H2,1H3

Isomères SMILES

CCCCCCCCC1=CC=C(C=C1)C=O

Poids moléculaire

218.33

Reaxy-Rn

781454

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=781454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Sensibilité: air sensitive
• Point d'ébullition (°C): 131-132 ℃ (3 Torr)
• Point de fusion (°C): -6℃
• Poids moléculaire: 218.330 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 218.167 Da
• Monoisotopic Mass: 218.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 168.000
• 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 49763-66-8, the molecular formula is C15H22O, and the molecular weight is 218.33 g/mol. InChIKey IHKVZPVHTKOSLW-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.