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Isoamyl 4-Hydroxybenzoate - 98%, high purity , CAS No.6521-30-8

COA

Grade & Purity:

≥98%

Cas Number: 6521-30-8
Molecular Weight: 208.26
MDL number: MFCD00017502
PubChem CID: 81009

In stock

Item Number

I157511

Grouped product items
SKU	Size	Availability	Price
I157511-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I157511-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
I157511-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	iso-Amyl-4-hydroxybenzoate \| ISOPENTYL PARA-HYDROXYBENZOATE \| 4-Hydroxybenzoic Acid Isoamyl Ester \| Benzoic acid, p-hydroxy-, isopentyl ester \| 4-hydroxy-benzoic acid 3-methylbutyl ester \| MFCD00017502 \| AS-59121 \| ISOPENTYL P-HYDROXYBENZOATE \| 1H-Imidazo
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
      - 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

Names and Identifiers

IUPAC Name	3-methylbutyl 4-hydroxybenzoate
INCHI	InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKey	KSHVDKDQYBNSAN-UHFFFAOYSA-N
Smiles	CC(C)CCOC(=O)C1=CC=C(C=C1)O
Isomeric SMILES	CC(C)CCOC(=O)C1=CC=C(C=C1)O
Molecular Weight	208.26
Reaxy-Rn	2722437
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2722437&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
E2416171	Certificate of Analysis	Apr 16, 2024	I157511
E2416186	Certificate of Analysis	Apr 16, 2024	I157511

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	242°C(lit.)
Melt Point(°C)	62 °C
Molecular Weight	208.250 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.11 Da
Monoisotopic Mass	208.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193.000
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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