Phloroglucinol dihydrate - ≥99% , CAS No.6099-90-7

CAS: 6099-90-7 Cat. No.: P105611 Molecular Weight: 162.14 Beilstein Registry Number: 5109263 EC Number: 612-061-6

GRADE & PURITY ≥99%

Synonyms

CCRIS 6521 | Q27231218 | 1,3,5-Benzenetriol, dihydrate | 2-Amino-5-p-nitrofenil-1,3,4-tiadiazolo | NSC-82352 | D78118 | AKOS015890292 | 4-Toluidine-2-hydroxyethylsulfamide | benzene-1,3,5-triol dihydrate | Tox21_112385 | AM20050222 | CAS-6099-90-7 | PHLOR

Storage

Room temperature

Shipped In

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Overview

Used in microscopy as a decalcifier of bone specimens. Reagent for aldehydes, pentoses and pentosans.
In microscopy as a decalcifier of bone specimens. Reagent for pentoses, pentosans and aldehydes.

Specifications

Synonyms

CCRIS 6521 | Q27231218 | 1, 3, 5-Benzenetriol, dihydrate | 2-Amino-5-p-nitrofenil-1, 3, 4-tiadiazolo | NSC-82352 | D78118 | AKOS015890292 | 4-Toluidine-2-hydroxyethylsulfamide | benzene-1, 3, 5-triol dihydrate | Tox21_112385 | AM20050222 | CAS-6099-90-7 | PHLOR

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504755443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755443
• Canonical Smiles: C1=C(C=C(C=C1O)O)O.O.O
• IUPAC Name: benzene-1,3,5-triol;dihydrate
• InChIKey: MPYXTIHPALVENR-UHFFFAOYSA-N
• INCHI: 1S/C6H6O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h1-3,7-9H;2*1H2
• Isomeric SMILES: C1=C(C=C(C=C1O)O)O.O.O
• WGK Germany: 2
• RTECS: DC4662500
• Molecular Weight: 162.14
• Beilstein: 5109263
• Reaxy-Rn: 5109263
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5109263&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phloroglucinols and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phloroglucinol derivative - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phloroglucinols and derivatives. These are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: Solubility in water: Soluble Solubility in other solvents: Soluble in alcohol, ether and pyridine
• Sensitivity: Light sensitive
• Flash Point(°F): 212 °F
• Flash Point(°C): 100 °C
• Melt Point(°C): 213°C
• Molecular Weight: 162.140 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 63.300
• 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: 3

XLogP3

References

1. Ran Wang, Chenying Li, Zhiyi Jia, Yaxing Su, Yingfei Ai, Qinghong Li, Xijie Guo, Zeng Tao, Fucheng Lin, Yan Liang.  (2023)  Reversible phosphorylation of a lectin-receptor-like kinase controls xylem immunity.  Cell Host & Microbe,      [PMID:37977141] [10.1016/j.chom.2023.10.017]

2. Hui Yang, Guoming Yuan, Enxiang Jiao, Kunxin Wang, WenJie Diao, Zhao Li, Kun Wu, Jun Shi.  (2023)  Low dielectric constant and high thermal stability of liquid crystal epoxy polymers based on functionalized poly(phenylene oxide).  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112378]

3. Yan Zhou, Yifeng Wei, Li Jiang, Xinan Jiao, Yan Zhang.  (2023)  Anaerobic phloroglucinol degradation by Clostridium scatologenes.  mBio,  14  (4):   [PMID:37341492] [10.1128/mbio.01099-23]

4. Yu Shengzhu, Guo Liwei, Zhao Luyao, Chen Zhenya, Huo Yixin.  (2020)  Metabolic engineering of E. coli for producing phloroglucinol from acetate.  APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,  104  (18): (7787-7799).  [PMID:32737536] [10.1007/s00253-020-10591-2]

5. Yating Li, Tong Xu, Yanqin Tu, Tong Li, Yifeng Wei, Yan Zhou.  (2024)  An aldolase-dependent phloroglucinol degradation pathway in Collinsella sp. zg1085.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,  90  (8):   [PMID:39028195] [10.1128/aem.01047-24]

6. Yan Wang, Shujuan Ma, Luwei Zhang, Na Zhang, Yanan Li, Junjie Ou, Yehua Shen, Mingliang Ye.  (2019)  Fast fabrication of a hybrid monolithic column containing cyclic and aliphatic hydrophobic ligands via photo-initiated thiol-ene polymerization.  JOURNAL OF SEPARATION SCIENCE,  42  (7): (1332-1340).  [PMID:30667168] [10.1002/jssc.201801033]

7. Pengyue Li, Ying Zhang, Yanyan Li, Xinya Du, Chengfeng Peng, Jintao Jiang, Ying Yuan, Ai Xu, Yang Lin, Jiatao Xie, Jiasen Cheng, Yanping Fu, Xiao Yu, Tom Hsiang, Daohong Jiang, Bo Li.  (2025)  Specific phosphorylation at Ser60 in N terminus of SlCAK1 propels bacterial cold shock protein-induced immunity in Solanaceae plants.  Cell Reports,      [PMID:41066232] [10.1016/j.celrep.2025.116390]

8. Shaozhi Liu, Honggang Zhang, Guangyao Zhai, Zeyan Wang, Hefeng Cheng, Peng Wang, Zhaoke Zheng, Ying Dai, Baibiao Huang, Yuanyuan Liu.  (2025)  Synergistic effect between Mn single atoms and oxygen vacancies in Mn/Ov-BiOBr with boosted ozonation assisted photocatalytic N2 oxidation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171892]