Hydroquinone - ≥99%(HPLC) , CAS No.123-31-9

CAS: 123-31-9 Cat. No.: H108947 Formula: C₆H₆O₂ Molecular Weight: 110.11 Beilstein Registry Number: 605970 EC Number: 204-617-8

GRADE & PURITY ≥99%(HPLC)

Synonyms

SMR000059154 | a-Hydroquinone | Tenox HQ | alpha-hydroquinone | beta-quinol | HQ | HYDROQUINONE [IARC] | TRI-LUMA COMPONENT HYDROQUINONE | 4-DIHYDROXYBENZENE | hydroq uinone | Quinol | XV74C1N1AE | HYDROQUINONE (USP-RS) | MedisilkeNight | SR-01000075920 |

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Overview

Hydroquinone is a phenolic compound, which is naturally found in coffee, tea and wine. It is used in photographic, chemical and cosmetic industries. Hydroquinone is used as a skin lightening agent. It is topically applied to treat melisma, freckles and senile lentigines. Hydroquinone is linked to exogenous ochronosis, dermatitis and skin irritation. It inhibits melanogenesis.

A quinone small molecule with efficacy as a topical preparation.

Specifications

Synonyms

SMR000059154 | a-Hydroquinone | Tenox HQ | alpha-hydroquinone | beta-quinol | HQ | HYDROQUINONE [IARC] | TRI-LUMA COMPONENT HYDROQUINONE | 4-DIHYDROXYBENZENE | hydroq uinone | Quinol | XV74C1N1AE | HYDROQUINONE (USP-RS) | MedisilkeNight | SR-01000075920 |

Specifications & Purity

≥99%(HPLC)

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Purity

≥99%(HPLC)

Names and Identifiers

Pubchem Sid

508813318

Canonical Smiles

C1=CC(=CC=C1O)O

IUPAC Name

benzene-1,4-diol

InChIKey

QIGBRXMKCJKVMJ-UHFFFAOYSA-N

INCHI

1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

Isomeric SMILES

C1=CC(=CC=C1O)O

WGK Germany

3

RTECS

MX3500000

UN Number

3077

Packing Group

III

Molecular Weight

110.11

Beilstein

605970

Reaxy-Rn

605970

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605970&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: Hydroquinones
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroquinone - 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 hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• External Descriptors: an electron-transfer-related quinol - a benzenediol

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)

CA2 Tclin Carbonic anhydrase 2 (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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

HBB Tbio Hemoglobin beta chain (329 Activities)

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HL-60 (67320 Activities)

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K562 (73714 Activities)

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SH-SY5Y (11521 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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A549 (127892 Activities)

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HEK293 (82097 Activities)

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KB (17409 Activities)

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Lymphoblastoid cell (5959 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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

THPO Tbio Thrombopoietin (834 Activities)

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Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)

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polC DNA polymerase III (243 Activities)

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

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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

Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Carbonic anhydrase (69 Activities)

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Artemia salina (1320 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Porphyromonas gingivalis (651 Activities)

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Micrococcus luteus (7463 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Trypanosoma cruzi (99888 Activities)

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Cavia porcellus (23802 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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J774 (3120 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Danio rerio (3092 Activities)

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Gambusia affinis (76 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Large T antigen (1457 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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nfo Endonuclease 4 (425 Activities)

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Melan-a (81 Activities)

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Anopheles gambiae (126 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: A quinone small molecule with efficacy as a topical preparation.
• Sensitivity: Light and air sensitive.
• Flash Point(°C): 165℃
• Boil Point(°C): 285-287°C
• Melt Point(°C): 170-171°C
• Molecular Weight: 110.110 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.037 Da
• Monoisotopic Mass: 110.037 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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