2,4-Dihydroxy-5-methylbenzaldehyde - ≥95% , CAS No.39828-37-0

CAS: 39828-37-0 Cat. No.: D729957 Molecular Weight: 152.15 EC Number: 115-943-4 PubChem CID: 21106175
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
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100mg
D729957-100mg
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250mg
D729957-250mg
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1g
D729957-1g
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5g
D729957-5g
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesCC1=CC(=C(C=C1O)O)C=O
IUPAC Name2,4-dihydroxy-5-methylbenzaldehyde
InChIKeyJATWPRIBCRVOHC-UHFFFAOYSA-N
INCHI1S/C8H8O3/c1-5-2-6(4-9)8(11)3-7(5)10/h2-4,10-11H,1H3
Isomeric SMILES CC1=CC(=C(C=C1O)O)C=O
PubChem CID 21106175
Molecular Weight 152.15

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct ParentHydroxybenzaldehydes
Alternative Parents Resorcinols  Para cresols  Ortho cresols  Benzoyl derivatives  Toluenes  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hydroxybenzaldehyde - Resorcinol - P-cresol - O-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight152.150 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047 Da
Monoisotopic Mass152.047 Da
Topological Polar Surface Area57.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity146.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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