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2,5-Dimethylphenol Standard - analytical standard，>99.8%, high purity , CAS No.95-87-4

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2,5-Dimethylphenol Standard - analytical standard，>99.8%, high purity , CAS No.95-87-4

5 Citations

COA

Grade & Purity:

analytical standard

≥99.8%

Cas Number: 95-87-4
Molecular Weight: 122.17
Beilstein Registry Number: 1099260
EC Number: 202-461-5
MDL number: MFCD00002237
PubChem CID: 7267

In stock

Item Number

D104332

Grouped product items
SKU	Size	Availability	Price
D104332-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$70.90
D104332-2g	2g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$126.90
D104332-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$284.90

Basic Description

Synonyms	2,5-DIMETHYLPHENOL \| 95-87-4 \| 2,5-Xylenol \| p-Xylenol \| Phenol, 2,5-dimethyl- \| 3,6-Dimethylphenol \| 6-Methyl-m-cresol \| 3,6-Xylenol \| 1-Hydroxy-2,5-dimethylbenzene \| 1,2,5-Xylenol \| 2,5-Dmp \| 2-Hydroxy-p-xylene \| 2,5-Dimethyl phenol \| 1,4-Dimethyl-2-hydroxybenzene \| 2,5-Dimethyl-p
Specifications & Purity	analytical standard, ≥99.8%
Storage Temp	Protected from light
Shipped In	Normal
Grade	analytical standard

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	p-Xylenes Ortho cresols Meta cresols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-xylenol - P-xylene - O-cresol - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,5-dimethylphenol
INCHI	InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKey	NKTOLZVEWDHZMU-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C)O
Isomeric SMILES	CC1=CC(=C(C=C1)C)O
WGK Germany	3
RTECS	ZE5775000
UN Number	2261
Packing Group	II
Molecular Weight	122.17
Beilstein	1099260
Reaxy-Rn	1099260
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099260&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.

4 results found

Lot Number	Certificate Type	Date	Item
E2323576	Certificate of Analysis	Feb 07, 2025	D104332
E2323595	Certificate of Analysis	Feb 07, 2025	D104332
E2323598	Certificate of Analysis	Feb 07, 2025	D104332
H1803081	Certificate of Analysis	Apr 14, 2022	D104332

Chemical and Physical Properties

Sensitivity	Light sensitive.
Boil Point(°C)	211.5°C
Melt Point(°C)	74.5°C
Molecular Weight	122.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	122.073 Da
Monoisotopic Mass	122.073 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.600
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

How to Cite Aladdin Scientific Products?

1. Yang Shi, Guangya Yu, Xunqiu Wang. (2022) Experimental determination and thermodynamic modeling of solid-liquid equilibrium of 2,6-dimethylphenol, 3,5-dimethylphenol and 2,5-dimethylphenol binary and ternary systems. THERMOCHIMICA ACTA, 710 (179174).
2. Chen Yang, Jiajia You, Mengkai Hu, Ganfeng Yi, Rongzhen Zhang, Meijuan Xu, Minglong Shao, Taowei Yang, Xian Zhang, ZhiMing Rao. (2021) Redistribution of Intracellular Metabolic Flow in E. coli Improves Carbon Atom Economy for High-Yield 2,5-Dimethylpyrazine Production. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 69 (8): (2512–2521).
3. Tinghao Jia, Si Gong, Lun Pan, Chuan Deng, Ji-Jun Zou, Xiangwen Zhang. (2020) Impact of deep hydrogenation on jet fuel oxidation and deposition. FUEL, 264 (116843).
4. Chuyi Ni, Junlong Huang, Xintong Xie, Yueru Shi, Juan Zheng, Gangfeng Ouyang. (2019) Simple fabrication of zirconium and nitrogen co-doped ordered mesoporous carbon for enhanced adsorption performance towards polar pollutants. ANALYTICA CHIMICA ACTA, 1070 (43).
5. Xiaopeng Shi, Haotong Lin, Qi Ouyang, guanqun luo, Xianghong Lu, Jianbing Ji, Kaige Wang. (2025) Biochemical to enable Biorefinery: A case study of polyphenols extraction from Bio-oil for Utilization as Biodiesel Antioxidants. GREEN CHEMISTRY,

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