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3-Chloro-2，6-dihydroxy-4-methylbenzaldehyde - ≥95%, high purity , CAS No.57074-21-2

COA

Grade & Purity:

≥95%

Cas Number: 57074-21-2
Molecular Weight: 186.59
EC Number: 801-751-4
PubChem CID: 6426722

In stock

Item Number

C709845

Grouped product items
SKU	Size	Availability	Price	Qty
C709845-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
C709845-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90

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Aromatic Aldehydes & Derivatives (1)

Basic Description

Synonyms	Chloroatranol
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Chloroatranol is a degradation product of chloroatranorin. It is identified as one of the main contact allergens in oakmoss absolute, a lichen extract widely utilized in the perfume industry. Application： Chloroatranol may be used as an analytical reference standard for the determination of the analyte in perfumes, and oakmoss absolute samples by various chromatography techniques.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Resorcinols P-chlorophenols O-chlorophenols Meta cresols Benzoyl derivatives Toluenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - 4-halophenol - 2-halophenol - M-cresol - 2-chlorophenol - Benzoyl - 4-chlorophenol - Resorcinol - Halobenzene - Phenol - Chlorobenzene - Toluene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This 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
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-chloro-2,6-dihydroxy-4-methylbenzaldehyde
INCHI	InChI=1S/C8H7ClO3/c1-4-2-6(11)5(3-10)8(12)7(4)9/h2-3,11-12H,1H3
InChIKey	IOTAGSGSURFFDS-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1Cl)O)C=O)O
Isomeric SMILES	CC1=CC(=C(C(=C1Cl)O)C=O)O
Alternate CAS	57074-21-2
PubChem CID	6426722
MeSH Entry Terms	chloroatranol
Molecular Weight	186.59

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
D2501160	Certificate of Analysis	Mar 24, 2025	C709845
D2501170	Certificate of Analysis	Mar 24, 2025	C709845
D2501158	Certificate of Analysis	Mar 24, 2025	C709845
D2501161	Certificate of Analysis	Mar 24, 2025	C709845
C2521534	Certificate of Analysis	Mar 24, 2025	C709845

Chemical and Physical Properties

Molecular Weight	186.590 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	186.008 Da
Monoisotopic Mass	186.008 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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