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4-Octadecyloxybenzaldehyde - 95%, high purity , CAS No.4105-95-7

COA

Grade & Purity:

≥95%

Cas Number: 4105-95-7
Molecular Weight: 374.61
Beilstein Registry Number: 8(4)256
MDL number: MFCD00143357
PubChem CID: 4433898
PubChem SID: 488194872

In stock

Item Number

O160020

Grouped product items
SKU	Size	Availability	Price
O160020-250mg	250mg	3	$23.90
O160020-1g	1g	3	$73.90
O160020-5g	5g	1	$283.90

View related series

aldehyde (388) Carbonyl compound (2335)

Basic Description

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
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
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

Names and Identifiers

Pubchem Sid	488194872
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194872
IUPAC Name	4-octadecoxybenzaldehyde
INCHI	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
InChIKey	AKTNFINCBVUXEH-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O
Isomeric SMILES	CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
H23031018	Certificate of Analysis	Jul 17, 2023	O160020
H2303957	Certificate of Analysis	Jul 17, 2023	O160020
H2303962	Certificate of Analysis	Jul 17, 2023	O160020
H23031161	Certificate of Analysis	Jul 17, 2023	O160020
H2303953	Certificate of Analysis	Jul 17, 2023	O160020
H2303958	Certificate of Analysis	Jul 17, 2023	O160020

Chemical and Physical Properties

Sensitivity	Air Sensitive
Boil Point(°C)	240°C/2mmHg(lit.)
Melt Point(°C)	53 °C
Molecular Weight	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 Å²
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

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