4-tert-Butylcatechol
Product Information
Molecular Formula
C10H14O2
Molecular Weight
166.22
Description
4-tert-Butylcatechol is a compound useful in organic synthesis.
IUPAC Name
4-tert-butylbenzene-1,2-diol
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChI Key
XESZUVZBAMCAEJ-UHFFFAOYSA-N
Boiling Point
285 °C
Melting Point
58 °C
Flash Point
130 °C
Purity
> 98.0 % (GC)
Density
1.049 g/cm3
Appearance
White to light yellow to light red powder to lump
Application
Used to inhibit polymerization of styrene-butadiene and other olefins.
Storage
Inert atmosphere, Room Temperature
LogP
2.39530
Vapor Pressure
0.0028 [mmHg]
Safety Information
Hazards
H311 H303 H315 H319 H317
Precautionary Statement
P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P361, P363, P391, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
166.099379685 g/mol
Monoisotopic Mass
166.099379685 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
148
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114106766-A | Waterborne polyurethane electroacoustic adhesive and preparation method thereof | 2021-12-20 |
| CN-114106236-A | Quaternary amine shale inhibitor and preparation method thereof | 2021-12-15 |
| CN-114149548-A | Flame-retardant acrylic resin and solvent-type thermal foaming inkjet ink prepared from same | 2021-12-15 |
| CN-113956461-A | O-phenylphenol alkoxylated derivative and preparation method thereof | 2021-12-13 |
| CN-114163290-A | Alkaline washing tower butter inhibitor and preparation method thereof | 2021-12-06 |
| JP-2022043096-A | Resin composition, method for manufacturing cured relief pattern, and semiconductor device | 2021-12-01 |
| CN-114085618-A | Acrylate structural adhesive suitable for bonding narrow frames of electronic products | 2021-11-30 |
| CN-114133497-A | Water-based polymer emulsion and preparation method and application thereof | 2021-11-26 |
| CN-113943221-A | Method for preparing 2-methyl allyl formate from paraformaldehyde and methacrolein | 2021-11-25 |
| CN-113968879-A | Silane coupling agent containing hydroxyl and (methyl) acryloyloxy | 2021-11-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 30461186 | 2019-03-01 | Para-tertiary butyl catechol (PTBC), an industrial antioxidant induces human platelet apoptosis | Environmental toxicology |
| 22852772 | 2012-08-29 | Discovery of a metalloenzyme-like cooperative catalytic system of metal nanoclusters and catechol derivatives for the aerobic oxidation of amines | Journal of the American Chemical Society |
| 21984978 | 2011-11-21 | A microfluidic device based on a screen-printed carbon electrode with electrodeposited gold nanoparticles for the detection of IgG anti-Trypanosoma cruzi antibodies | The Analyst |
| 21611646 | 2011-07-07 | Determination of Ochratoxin A in apples contaminated with Aspergillus ochraceus by using a microfluidic competitive immunosensor with magnetic nanoparticles | The Analyst |
| 21341798 | 2011-04-20 | Radical chain reduction of alkylboron compounds with catechols | Journal of the American Chemical Society |
| 19339484 | 2011-01-01 | San-Huang-Xie-Xin-Tang Protects against Activated Microglia- and 6-OHDA-Induced Toxicity in Neuronal SH-SY5Y Cells | Evidence-based complementary and alternative medicine : eCAM |
| 22135906 | 2011-01-01 | Partial purification and characterization of polyphenoloxidase from culinary-medicinal Royal Sun mushroom (the Himematsutake), Agaricus brasiliensis S. Wasser et al. (Agaricomycetideae) | International journal of medicinal mushrooms |
| 20957092 | 2010-09-14 | Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison | International journal of molecular sciences |
| 21063518 | 2010-07-01 | Chemical leukoderma: what's new on etiopathological and clinical aspects? | Indian journal of dermatology |
| 19798497 | 2010-03-01 | Discovery of a new tyrosinase-like enzyme family lacking a C-terminally processed domain: production and characterization of an Aspergillus oryzae catechol oxidase | Applied microbiology and biotechnology |
