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4-n-Octyloxybenzoic Acid - 98%, high purity , CAS No.2493-84-7

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
N159183
Grouped product items
SKU Size
Availability
 Price Qty
N159183-5g
5g
3
$19.90
N159183-25g
25g
4
$73.90
N159183-100g
100g
2
$263.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Benzoic acids (42) Material synthetic block (276)

Basic Description

Synonyms CCRIS 4690 | OOBA | 4-(Octyloxy)benzoicacid | BBL102166 | p-Octyloxybenzoic acid | DTXSID1025807 | MFCD00013993 | MLS002454443 | NCGC00258458-01 | SMR001372025 | 4-(octyloxy)benzoic acid (en) | O0117 | CAS-2493-84-7 | P-(N-OCTOXY)BENZOIC ACID | 4-(Octylox
Specifications & Purity ≥98%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Benzoic acids
Alternative Parents Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors Not available

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488182372
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182372
IUPAC Name 4-octoxybenzoic acid
INCHI InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)
InChIKey IALWCYFULVHLEC-UHFFFAOYSA-N
Smiles CCCCCCCCOC1=CC=C(C=C1)C(=O)O
Isomeric SMILES CCCCCCCCOC1=CC=C(C=C1)C(=O)O
Molecular Weight 250.34
Beilstein 10(3)285
Reaxy-Rn 2212393
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212393&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
E2322583 Certificate of Analysis May 26, 2023 N159183
E2320640 Certificate of Analysis May 26, 2023 N159183
E2320673 Certificate of Analysis May 26, 2023 N159183
E2322584 Certificate of Analysis May 25, 2023 N159183
E2320636 Certificate of Analysis May 25, 2023 N159183
E2320685 Certificate of Analysis May 25, 2023 N159183

Chemical and Physical Properties

Solubility Solubility in hot Methanol:almost transparency
Melt Point(°C) 101-105 °C
Molecular Weight 250.330 g/mol
XLogP3 5.000
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 250.157 Da
Monoisotopic Mass 250.157 Da
Topological Polar Surface Area 46.500 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 220.000
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

Solution Calculators

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