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4-(tert-Butyl)-2-hydroxybenzoic acid - 97%, high purity , CAS No.4578-63-6

COA

Grade & Purity:

≥97%

Cas Number: 4578-63-6
Molecular Weight: 194.23
PubChem CID: 433024

In stock

Item Number

T193488

Grouped product items
SKU	Size	Availability	Price
T193488-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
T193488-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
T193488-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
T193488-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90

Discover 4-(tert-Butyl)-2-hydroxybenzoic acid by Aladdin Scientific in 97% for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(tert-Butyl)-2-hydroxybenzoic acid \| 4578-63-6 \| 4-tert-butyl-2-hydroxybenzoic acid \| 4-(tert-butyl)-2-hydroxybenzoicacid \| 2-hydroxy-4-tert-butyl-benzoic Acid \| SCHEMBL342607 \| DTXSID00330839 \| DEZCCOKUEFEDGQ-UHFFFAOYSA-N \| MFCD16999904 \| AKOS016007385 \| MB25463 \| AS-62008 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent	Salicylic acids
Alternative Parents	Phenylpropanes Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Salicylic acid - Benzoic acid - Phenylpropane - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
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	4-tert-butyl-2-hydroxybenzoic acid
INCHI	InChI=1S/C11H14O3/c1-11(2,3)7-4-5-8(10(13)14)9(12)6-7/h4-6,12H,1-3H3,(H,13,14)
InChIKey	DEZCCOKUEFEDGQ-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=C(C=C1)C(=O)O)O
Isomeric SMILES	CC(C)(C)C1=CC(=C(C=C1)C(=O)O)O
PubChem CID	433024
Molecular Weight	194.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.230 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	194.094 Da
Monoisotopic Mass	194.094 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217.000
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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