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Isobutyl 4-hydroxybenzoate - 97%, high purity , CAS No.4247-02-3

3 Citations

COA

Grade & Purity:

≥97%

Cas Number: 4247-02-3
Molecular Weight: 194.23
EC Number: 224-208-8
MDL number: MFCD00020167
PubChem CID: 20240
PubChem SID: 504752969

In stock

Item Number

I140599

Grouped product items
SKU	Size	Availability	Price
I140599-25g	25g	4	$34.90
I140599-100g	100g	8	$96.90
I140599-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$235.90

View related series

Bacterial (3013)

Basic Description

Synonyms	CHEBI:178256 \| p-Hydroxybenzoic acid sec-butyl ester \| 2-Methylpropyl 4-hydroxybenzoate \| ChemDiv2_000057 \| FT-0618696 \| ISOBUTYL PARA HYDROXY BENZOATE \| SR-01000389342-1 \| 3-10-00-00308 (Beilstein Handbook Reference) \| MFCD00020167 \| p-Hydroxybenzoic aci
Specifications & Purity	≥97%
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

Pubchem Sid	504752969
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752969
IUPAC Name	2-methylpropyl 4-hydroxybenzoate
INCHI	InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKey	XPJVKCRENWUEJH-UHFFFAOYSA-N
Smiles	CC(C)COC(=O)C1=CC=C(C=C1)O
Isomeric SMILES	CC(C)COC(=O)C1=CC=C(C=C1)O
WGK Germany	3
RTECS	DH2247000
Molecular Weight	194.23
Reaxy-Rn	2642305
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2642305&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
C2525084	Certificate of Analysis	Apr 02, 2025	I140599
J2417534	Certificate of Analysis	Jun 25, 2024	I140599
J2417535	Certificate of Analysis	Jun 25, 2024	I140599
J2417536	Certificate of Analysis	Jun 25, 2024	I140599
D2315446	Certificate of Analysis	Apr 13, 2023	I140599
H1520123	Certificate of Analysis	Apr 13, 2023	I140599
C2126066	Certificate of Analysis	Apr 13, 2023	I140599

Chemical and Physical Properties

Melt Point(°C)	76°C
Molecular Weight	194.230 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094 Da
Monoisotopic Mass	194.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181.000
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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