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4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid - 95%, high purity , CAS No.1138-41-6

COA COA
    Grade & Purity:
  • ≥95%
In stock
Item Number
H586427
Grouped product items
SKU Size
Availability
 Price Qty
H586427-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$59.90
H586427-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$146.90
H586427-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$249.90
H586427-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$642.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms CHEBI:31111 | 4-hydroxy-3-prenylbenzoic acid | 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoicacid | 3-dimethylallyl-4-hydroxybenzoic acid | 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid | AKOS022648670 | 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid | BS-459
Specifications & Purity ≥95%
Storage Temp Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.

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 Hydroxybenzoic acid derivatives
Alternative Parents Benzoic acids  Benzoyl derivatives  1-hydroxy-2-unsubstituted benzenoids  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocarboxylic acid or derivatives - 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 hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
External Descriptors monohydroxybenzoic acid

Associated Targets(non-human)

Agrobacterium tumefaciens (620 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Aspergillus flavus (8875 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sorghum halepense (127 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Penicillium chrysogenum (1593 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ambrosia artemisiifolia (23 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Chenopodium album (769 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Convolvulaceae (72 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cornus florida (18 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Curtobacterium flaccumfaciens (19 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Datura stramonium (35 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nasturtium officinale (18 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pectobacterium carotovorum (295 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Senna obtusifolia (31 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sida spinosa (38 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sorghum (6 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

IUPAC Name 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid
INCHI InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)
InChIKey LBSJJNAMGVDGCU-UHFFFAOYSA-N
Smiles CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C
Isomeric SMILES CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C
Molecular Weight 206.24
Reaxy-Rn 2644226
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2644226&ln=

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

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

Chemical and Physical Properties

Molecular Weight 206.240 g/mol
XLogP3 3.000
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 206.094 Da
Monoisotopic Mass 206.094 Da
Topological Polar Surface Area 57.500 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 254.000
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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