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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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