3,4-Dimethylphenol solution - analytical standard, 1000ug/ml in methanol , CAS No.95-65-8

CAS: 95-65-8 Cat. No.: D117389 Molecular Weight: 122.16 Beilstein Registry Number: 1099267 EC Number: 202-439-5

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

3,4-DIMETHYLPHENOL|95-65-8|3,4-Xylenol|4,5-Dimethylphenol|Phenol, 3,4-dimethyl-|1,3,4-Xylenol|3,4-Dimethyl phenol|1-Hydroxy-3,4-dimethylbenzene|4-Hydroxy-1,2-dimethylbenzene|3,4-DMP|3,4-dimethyl-phenol|FEMA No. 3596|NSC 1549|4-Hydroxy-o-xylene|1,2-Dimethy

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

3, 4-DIMETHYLPHENOL | 95-65-8 | 3, 4-Xylenol | 4, 5-Dimethylphenol | Phenol, 3, 4-dimethyl- | 1, 3, 4-Xylenol | 3, 4-Dimethyl phenol | 1-Hydroxy-3, 4-dimethylbenzene | 4-Hydroxy-1, 2-dimethylbenzene | 3, 4-DMP | 3, 4-dimethyl-phenol | FEMA No. 3596 | NSC 1549 | 4-Hydroxy-o-xylene | 1, 2-Dimethy

Specifications & Purity

analytical standard, 1000ug/ml in methanol

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Isomeric SMILES: CC1=C(C=C(C=C1)O)C
• WGK Germany: 3
• RTECS: ZE6300000
• UN Number: 2261
• Packing Group: II
• Molecular Weight: 122.16
• Beilstein: 1099267
• Reaxy-Rn: 1099267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099267&ln=

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

Skin (286 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Flash Point(°F): 110℃
• Flash Point(°C): 110℃
• Boil Point(°C): 219.5°C
• Melt Point(°C): 62.5°C
• Molecular Weight: 122.160 g/mol
• XLogP3: 2.200
• 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 Ų
• 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

References

1. Chunhui Wang, Kuan Ji, Weina Jia, Shuai Shao, Yumeng Liu, Xiaohui Jiang, Liangmin Yu.  (2023)  Synthesis of Hydrophobically Associating Polymers with Natural Product Structures by a One-Pot Method – Comparison of Ethanol Treatment and Freeze-Drying.  ChemistrySelect,  8  (12): (e202300151).  [PMID:] [10.1002/slct.202300151]

2. Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.  (2018)  Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers.  ANALYTICA CHIMICA ACTA,      [PMID:29534806] [10.1016/j.aca.2018.01.048]

3. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]

4. Jianqiao Xu, Junyan Wei, Jiayu Zhang, Zhicheng Xing, Zunyao Wang, Ruijuan Qu.  (2024)  Effect of Dissolved Organic Matter on the Photodegradation of Decachlorobiphenyl (PCB-209) in Heterogeneous Systems: Experimental Analysis and Excited-State Theory Calculations.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39088507] [10.1021/acs.est.4c02816]