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2,6-Bis(hydroxymethyl)-p-cresol - >98.0%(HPLC), high purity , CAS No.91-04-3

1 Citations

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 91-04-3
Molecular Weight: 168.19
Beilstein Registry Number: 61127
MDL number: MFCD00004619
PubChem CID: 7039
PubChem SID: 488180257

In stock

Item Number

B501349

Grouped product items
SKU	Size	Availability	Price
B501349-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
B501349-25g	25g	2	$90.90
B501349-100g	100g	1	$241.90
B501349-250g	250g	1	$512.90
B501349-500g	500g	2	$996.90

Basic Description

Synonyms	2,6-Bis(hydroxymethyl)-p-cresol \| 91-04-3 \| 2,6-Bis(hydroxymethyl)-4-methylphenol \| 2,6-Dimethylol-p-cresol \| (2-Hydroxy-5-methyl-1,3-phenylene)dimethanol \| 2-Hydroxy-5-methyl-1,3-benzenedimethanol \| 1,3-BENZENEDIMETHANOL, 2-HYDROXY-5-METHYL- \| 2,6-Dimethylol-4-methylp
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	It was used as a bridging ligand in binuclear oxovanadium(V) compound, which on exposure to white light and aerial oxygen forms an oligomeric compound.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Para cresols
Alternative Parents	Benzyl alcohols Toluenes Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cresol - Benzyl alcohol - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
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	488180257
IUPAC Name	2,6-bis(hydroxymethyl)-4-methylphenol
INCHI	InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChIKey	KUMMBDBTERQYCG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1)CO)O)CO
Isomeric SMILES	CC1=CC(=C(C(=C1)CO)O)CO
RTECS	CZ6440000
Molecular Weight	168.19
Beilstein	61127
Reaxy-Rn	1240237
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1240237&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

21 results found

Lot Number	Certificate Type	Date	Item
K2418039	Certificate of Analysis	Nov 21, 2024	B501349
F2313963	Certificate of Analysis	Jul 05, 2023	B501349
F2313962	Certificate of Analysis	Jul 05, 2023	B501349
F2313968	Certificate of Analysis	Jul 05, 2023	B501349
F2313543	Certificate of Analysis	Jul 05, 2023	B501349
F2313538	Certificate of Analysis	Jul 05, 2023	B501349
F2313524	Certificate of Analysis	Jul 05, 2023	B501349
F2313960	Certificate of Analysis	Jul 05, 2023	B501349
F2313510	Certificate of Analysis	Jul 05, 2023	B501349
D2314934	Certificate of Analysis	Apr 23, 2023	B501349
D2314854	Certificate of Analysis	Apr 23, 2023	B501349
D2314798	Certificate of Analysis	Apr 23, 2023	B501349
D2314797	Certificate of Analysis	Apr 19, 2023	B501349
D2314853	Certificate of Analysis	Apr 19, 2023	B501349
D2314750	Certificate of Analysis	Apr 19, 2023	B501349
D2314736	Certificate of Analysis	Apr 19, 2023	B501349
C2318397	Certificate of Analysis	Mar 27, 2023	B501349
C2318400	Certificate of Analysis	Mar 27, 2023	B501349
C2318401	Certificate of Analysis	Mar 27, 2023	B501349
C2318398	Certificate of Analysis	Mar 22, 2023	B501349
C2318403	Certificate of Analysis	Mar 22, 2023	B501349

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Chemical and Physical Properties

Melt Point(°C)	126 °C
Molecular Weight	168.190 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.079 Da
Monoisotopic Mass	168.079 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124.000
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

Citations of This Product

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