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Basic Description
| Synonyms | TBHQ | NSC 4972 | 2-(tert-butyl)benzene-1,4-diol | DTXSID6020220 | NSC4972 | Tenox 20 | BS-15862 | tert-Butylhydroquinone | tert-butyl-hydroquinone | MLS002222348 | AKOS003627061 | tert-Butylhydrochinone | tertiary-Butylhydroquinone | MTBHQ | TBHQ [INCI] |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
| Product Description |
tert-Butylhydroquinone (TBHQ) is a phenolic antioxidant. TBHQ is frequently used as a food preservative. In low concentrations it shows cytoprotective qualities while at higher concentrations it exhibits cytotoxic behavior. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Hydroquinone - 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 phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | hydroquinones |
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Associated Targets(Human)
ESR1
Tclin
Estrogen receptor alpha (17718 Activities)
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NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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VDR
Tclin
Vitamin D receptor (26531 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TYR
Tclin
Tyrosinase (717 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PPARG
Tclin
Peroxisome proliferator-activated receptor gamma (15191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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THRB
Tclin
Thyroid hormone receptor beta-1 (7926 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CXCL8
Tchem
Interleukin-8 (642 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AHR
Tclin
Aryl hydrocarbon receptor (1071 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NR1I2
Tchem
Pregnane X receptor (6667 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALOX15
Tchem
Arachidonate 15-lipoxygenase (7108 Activities)
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CYP2C9
Tchem
Cytochrome P450 2C9 (32119 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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THP-1 (11052 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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Associated Targets(non-human)
Abcc1
Multidrug resistance-associated protein 1 (42 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Ppard
Peroxisome proliferator-activated receptor delta (358 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PC-12 (7051 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
lef
Anthrax lethal factor (7585 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Luciferin 4-monooxygenase (66902 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nr1i2
Nuclear receptor subfamily 1 group I member 2 (14 Activities)
| 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
| Pubchem Sid | 488182199 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182199 |
| IUPAC Name | 2-tert-butylbenzene-1,4-diol |
| INCHI | InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3 |
| InChIKey | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| Smiles | CC(C)(C)C1=C(C=CC(=C1)O)O |
| Isomeric SMILES | CC(C)(C)C1=C(C=CC(=C1)O)O |
| WGK Germany | 3 |
| RTECS | MX4375000 |
| Molecular Weight | 166.22 |
| Beilstein | 637923 |
| Reaxy-Rn | 637923 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637923&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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2519078 |
Certificate of Analysis | Apr 30, 2025 | B105351 |
| E2519079 |
Certificate of Analysis | Apr 30, 2025 | B105351 |
| E2519080 |
Certificate of Analysis | Apr 30, 2025 | B105351 |
| E2324177 |
Certificate of Analysis | Apr 18, 2025 | B105351 |
| C2309042 |
Certificate of Analysis | Dec 09, 2024 | B105351 |
| C2309041 |
Certificate of Analysis | Dec 09, 2024 | B105351 |
| K2415295 |
Certificate of Analysis | Nov 05, 2024 | B105351 |
| K2415185 |
Certificate of Analysis | Nov 05, 2024 | B105351 |
| J2428476 |
Certificate of Analysis | Oct 17, 2024 | B105351 |
| K2230281 |
Certificate of Analysis | Sep 19, 2024 | B105351 |
| K2230275 |
Certificate of Analysis | Sep 19, 2024 | B105351 |
| K2230291 |
Certificate of Analysis | Sep 19, 2024 | B105351 |
| H2412274 |
Certificate of Analysis | Aug 01, 2024 | B105351 |
| H2412279 |
Certificate of Analysis | Aug 01, 2024 | B105351 |
| H2412293 |
Certificate of Analysis | Aug 01, 2024 | B105351 |
| A2509123 |
Certificate of Analysis | Jun 14, 2024 | B105351 |
| H2402123 |
Certificate of Analysis | Jun 14, 2024 | B105351 |
| H2402124 |
Certificate of Analysis | Jun 14, 2024 | B105351 |
| H2402122 |
Certificate of Analysis | Jun 14, 2024 | B105351 |
| G2220267 |
Certificate of Analysis | Apr 07, 2024 | B105351 |
| G2220266 |
Certificate of Analysis | Apr 07, 2024 | B105351 |
| G2220268 |
Certificate of Analysis | Apr 07, 2024 | B105351 |
| E2230228 |
Certificate of Analysis | Mar 19, 2024 | B105351 |
| E2230244 |
Certificate of Analysis | Mar 19, 2024 | B105351 |
| E2230240 |
Certificate of Analysis | Mar 19, 2024 | B105351 |
| I2129025 |
Certificate of Analysis | Jul 11, 2023 | B105351 |
| I2129283 |
Certificate of Analysis | Jul 11, 2023 | B105351 |
| D2114321 |
Certificate of Analysis | Jan 13, 2023 | B105351 |
| D2114326 |
Certificate of Analysis | Jan 13, 2023 | B105351 |
| K2230290 |
Certificate of Analysis | Oct 09, 2022 | B105351 |
| G2008041 |
Certificate of Analysis | Apr 26, 2022 | B105351 |
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Chemical and Physical Properties
| Solubility | Slightly soluble in water(10g/L). |
|---|---|
| Sensitivity | Moisture & air sensitive. |
| Flash Point(°F) | 195.8 °F |
| Flash Point(°C) | 91 °C |
| Boil Point(°C) | 295°C |
| Melt Point(°C) | 127°C |
| Molecular Weight | 166.220 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 166.099 Da |
| Monoisotopic Mass | 166.099 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| 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 |
Alternative Products
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tert-ButylhydroquinoneStarting at $241.90
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tert-Butylhydroquinone
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