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3,6-Dimethylsalicylaldehyde - 98%, high purity , CAS No.1666-04-2

COA

Grade & Purity:

≥98%

Cas Number: 1666-04-2
Molecular Weight: 150.18
MDL number: MFCD04037328
PubChem CID: 819297
PubChem SID: 488191541

In stock

Item Number

D155983

Grouped product items
SKU	Size	Availability	Price
D155983-250mg	250mg	7	$19.90
D155983-1g	1g	7	$59.90
D155983-5g	5g	5	$199.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	10.14272/WTHUWXPBPNTSHJ-UHFFFAOYSA-N.2 \| AJ-087/40189166 \| SY040640 \| A882312 \| D4507 \| WTHUWXPBPNTSHJ-UHFFFAOYSA-N \| MFCD04037328 \| 10.14272/WTHUWXPBPNTSHJ-UHFFFAOYSA-N.1 \| Benzaldehyde, 2-hydroxy-3,6-dimethyl- \| AKOS000112540 \| Z1198163822 \| EN300-24339
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Xylenes
      - Level5 Xylenols
        Level6 p-Xylenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Xylenols
Direct Parent	p-Xylenols
Alternative Parents	Hydroxybenzaldehydes p-Xylenes Ortho cresols Meta cresols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - P-xylenol - Benzaldehyde - Benzoyl - M-cresol - O-cresol - P-xylene - Aryl-aldehyde - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one 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	488191541
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191541
IUPAC Name	2-hydroxy-3,6-dimethylbenzaldehyde
INCHI	InChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKey	WTHUWXPBPNTSHJ-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C=C1)C)O)C=O
Isomeric SMILES	CC1=C(C(=C(C=C1)C)O)C=O
Molecular Weight	150.18
Reaxy-Rn	2326389
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326389&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2315539	Certificate of Analysis	Mar 09, 2023	D155983
D2317236	Certificate of Analysis	Mar 09, 2023	D155983
D2315543	Certificate of Analysis	Mar 09, 2023	D155983
D2315540	Certificate of Analysis	Mar 09, 2023	D155983
D2315531	Certificate of Analysis	Mar 09, 2023	D155983
D2317251	Certificate of Analysis	Mar 09, 2023	D155983

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive
Melt Point(°C)	61 °C
Molecular Weight	150.170 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.068 Da
Monoisotopic Mass	150.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144.000
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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