3,5-Dihydroxytoluene Anhydrous - 10mM in DMSO , CAS No.504-15-4

CAS: 504-15-4 Cat. No.: D424340 Molecular Weight: 124.14 Beilstein Registry Number: 6882 EC Number: 207-984-2

GRADE & PURITY 10mM in DMSO

Synonyms

Orcinol|3,5-Dihydroxytoluene|504-15-4|5-methylbenzene-1,3-diol|5-METHYLRESORCINOL|1,3-Dihydroxy-5-methylbenzene|Orcin|5-Methyl-1,3-benzenediol|5-Methylresorcin|1,3-Benzenediol, 5-methyl-|3-Hydroxy-5-methylphenol|3,5-Toluenediol|Resorcinol, 5-methyl-|Orcin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Orcinol is a useful phenol for proteomics research.
A useful phenol for proteomics research.

Specifications

Synonyms

Orcinol | 3, 5-Dihydroxytoluene | 504-15-4 | 5-methylbenzene-1, 3-diol | 5-METHYLRESORCINOL | 1, 3-Dihydroxy-5-methylbenzene | Orcin | 5-Methyl-1, 3-benzenediol | 5-Methylresorcin | 1, 3-Benzenediol, 5-methyl- | 3-Hydroxy-5-methylphenol | 3, 5-Toluenediol | Resorcinol, 5-methyl- | Orcin

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

ACTIVATOR

Names and Identifiers

• Pubchem Sid: 528758025
• Canonical Smiles: CC1=CC(=CC(=C1)O)O
• IUPAC Name: 5-methylbenzene-1,3-diol
• InChIKey: OIPPWFOQEKKFEE-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
• Isomeric SMILES: CC1=CC(=CC(=C1)O)O
• WGK Germany: 3
• RTECS: VH2100000
• UN Number: 2811
• Molecular Weight: 124.14
• Beilstein: 6882
• Reaxy-Rn: 1071903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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 resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• External Descriptors: a phenol

Data sources

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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

Associated Targets(non-human)

Echinochloa crus-galli (3685 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Bacillus subtilis (32866 Activities)

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Mast cell (119 Activities)

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

PLCG1 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 (24 Activities)

Discover Target: PLCG1

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

Amaranthus hypochondriacus (68 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light,Air,Moisture Sensitive
• Flash Point(°F): 318.2℉
• Flash Point(°C): 159℃
• Boil Point(°C): 290°C
• Melt Point(°C): 107°C
• Molecular Weight: 124.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.900
• 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. Feifei Liang, Xiaofang Tan, Shuaishuai Hao, Wenwen Liu, Chenxin Duan, Guisen Zhang, Tao Zhuang, Yin Chen, Chao Hao.  (2022)  Synthesis and structural characterization of two novel olanzapine cocrystals with decreased or enhanced dissolution rate.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2022.132340]

2. Zhu Longxiang, Feng Zhaoxue, Wang Dafeng, Wu Jiamin, Qiu Jianhui, Zhu Ping.  (2021)  Highly-efficient isolation of cellulose microfiber from rice straw via gentle low-temperature phase transition.  CELLULOSE,  28  (11): (7021-7031).  [PMID:] [10.1007/s10570-021-03983-8]

3. Yuhua Zhang, Jiayi Jiang, Ningbo Qin, Qian Zhang, Chunyan Yan.  (2019)  Biotransformation of 4-methylcoumarins by cambial meristematic cells of Camptotheca acuminata.  RSC Advances,  9  (17): (9449-9456).  [PMID:35520693] [10.1039/C9RA00522F]

4. Zuzhi Zhao, Fengwei Zhang, Zipin Zhang.  (2018)  A facile fluorescent “turn-off” method for sensing paraquat based on pyranine-paraquat interaction.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29573700] [10.1016/j.saa.2018.03.042]