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n-Octyl 4-Hydroxybenzoate - 98%, high purity , CAS No.1219-38-1

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n-Octyl 4-Hydroxybenzoate - 98%, high purity , CAS No.1219-38-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 1219-38-1
Molecular Weight: 250.34
MDL number: MFCD00016482
PubChem CID: 14642

In stock

Item Number

N159578

Grouped product items
SKU	Size	Availability	Price	Qty
N159578-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
N159578-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	DTXCID0027933 \| O0443 \| AKOS015856355 \| p-Oxybenzoesaureoctylester \| MFCD00016482 \| Octylparaben \| Octyl4-hydroxybenzoate \| NCGC00258462-01 \| A804816 \| BDBM86377 \| CS-0206542 \| Q27260531 \| BENZOIC ACID, p-HYDROXY-, OCTYL ESTER \| n-Octyl-4-hydroxybenzoate
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application n-Octyl 4-hydroxybenzoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acid esters
        Level6 p-Hydroxybenzoic acid esters
        Level7 p-Hydroxybenzoic acid alkyl esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent	p-Hydroxybenzoic acid alkyl esters
Alternative Parents	Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
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

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania infantum (5912 Activities)

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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

IUPAC Name	octyl 4-hydroxybenzoate
INCHI	InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3
InChIKey	RIKCMEDSBFQFAL-UHFFFAOYSA-N
Smiles	CCCCCCCCOC(=O)C1=CC=C(C=C1)O
Isomeric SMILES	CCCCCCCCOC(=O)C1=CC=C(C=C1)O
RTECS	DH2529050
Molecular Weight	250.34
Reaxy-Rn	2807114
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2807114&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.

2 results found

Lot Number	Certificate Type	Date	Item
L2322221	Certificate of Analysis	Dec 13, 2023	N159578
L2322220	Certificate of Analysis	Dec 13, 2023	N159578

Chemical and Physical Properties

Solubility	Soluble in alcohol, phenoxy ethanol and propylene glycol. Insoluble in water
Boil Point(°C)	172°C/0.1mmHg(lit.)
Melt Point(°C)	53 °C
Molecular Weight	250.330 g/mol
XLogP3	5.400
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 Å²
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

Citations of This Product

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