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2,4,5-Trimethylphenol - 97%, high purity , CAS No.496-78-6

COA

Grade & Purity:

≥97%

Cas Number: 496-78-6
Molecular Weight: 136.2
MDL number: MFCD00020050
PubChem CID: 10335
PubChem SID: 504751932

In stock

Item Number

T303807

Grouped product items
SKU	Size	Availability	Price
T303807-50mg	50mg	3	$17.90
T303807-250mg	250mg	3	$65.90
T303807-1g	1g	2	$235.90

Basic Description

Synonyms	EINECS 207-832-5 \| UNII-3PCA9E425C \| 4-06-00-03247 (Beilstein Handbook Reference) \| SCHEMBL395019 \| F87364 \| Q27257859 \| FT-0691409 \| CS-0358957 \| 3PCA9E425C \| MFCD00020050 \| AKOS000275084 \| NSC 38776 \| NSC38776 \| NSC-38776 \| 2,4,5-Trimethylphenol 100 mic
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cresol - O-cresol - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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	504751932
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751932
IUPAC Name	2,4,5-trimethylphenol
INCHI	InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
InChIKey	VXSCPERJHPWROZ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1C)O)C
Isomeric SMILES	CC1=CC(=C(C=C1C)O)C
PubChem CID	10335
Molecular Weight	136.2

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2207330	Certificate of Analysis	Apr 02, 2025	T303807
G2207329	Certificate of Analysis	Apr 02, 2025	T303807
K2101099	Certificate of Analysis	Aug 19, 2024	T303807
K2101162	Certificate of Analysis	Aug 19, 2024	T303807

Chemical and Physical Properties

Refractive Index	1.535
Flash Point(°C)	102.3°C
Boil Point(°C)	232°C
Melt Point(°C)	72°C
Molecular Weight	136.190 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	136.089 Da
Monoisotopic Mass	136.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111.000
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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