Tertiary Butylhydroquinone - Materials / Alfa Chemistry

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Tertiary Butylhydroquinone

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Catalog Number

ACMA00017409

Product Name

Tertiary Butylhydroquinone

Category

Polymers

Description

Tert-butylhydroquinone appears as white to light tan crystalline powder or a fine beige powder. Very slight aromatic odor. (NTP, 1992);DryPowder, Liquid;White crystalline solid having a characteristic odour;Solid

IUPAC Name

2-tert-butylbenzene-1,4-diol

Molecular Weight

166.22g/mol

Molecular Formula

C10H14O2;C10H14O2

Canonical SMILES

CC(C)(C)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3

InChI Key

BGNXCDMCOKJUMV-UHFFFAOYSA-N

Boiling Point

563 °F at 760 mm Hg (NTP, 1992);273.0 °C;295 °C

Melting Point

261 to 264 °F (NTP, 1992);128.0 °C;126.5-128.5 °C;127-129°C

Flash Point

340 °F (NTP, 1992);171 °C (340 °F) - closed cup

Density

1.05 (NTP, 1992);1.05

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);Practically insoluble in water; soluble in ethanol;In water, 2000 mg/L at 30 °C (Shake-flask method);Solubility in fats and food-grade solvents is good;(at 25 °C): less than 1% in water, 60% in ethanol, 60% in ethyl acetate, 10% in glyceryl monooleate, 10% in cottonseed oil, 10% in corn oil, 10% in soybean oil, 30% in propylene glycol, 5% in safflower oil;Soluble in acetone, alcohol, ethyl acetate

Application

Tertiary Butylhydroquinone (TBHQ) is a white, crystalline solid with a distinctive odor, primarily used as an antioxidant to preserve the quality and extend the shelf life of oils, fats, and various food items. It is an effective component in both vegetable oils and animal fats, and it also plays a crucial role in industrial applications such as varnishes, lacquers, resins, and oil field additives. In addition to its preservative capabilities, TBHQ is utilized in the creation of environmentally friendly electrode materials for supercapacitors, achieved by enhancing graphene nanosheets with its properties. With its ability to inhibit oxidative rancidity, particularly in frozen cooked fish flakes, TBHQ demonstrates its utility in food preservation. Moreover, its involvement in activating the nuclear factor E2-related factor 2-dependent antioxidant response element, especially in astrocyte conditions, underscores its potential in scientific research. TBHQ represents a specialized class of hydroquinones, distinguished by the substitution of a tert-butyl group on the hydroquinone ring.

Color/Form

White to light tan crystalline powder or a fine beige powder;White crystalline solid

Complexity

148

Covalently-Bonded Unit Count

EC Number

217-752-2;217-752-2

Exact Mass

166.09938g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 2.94 (est)

MeSH Entry Terms

2-tert-butylhydroquinone;2-tertiary-butylhydroquinone;mono-tert-butylhydroquinone;monotertiary butyl hydroquinone;MTBHQ;TBHQ;tert-butylhydroquinone

Monoisotopic Mass

166.09938g/mol

NSC Number

4972

Odor

Very slight aromatic odor;Characteristic odor;Very slight odor

Other Experimental

Solubility: 5% in water at 95 °C, 5% in lard at 50 °C;Henry's Law constant = 1.5X10-10 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 5.1X10-11 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

C12674942B

Vapor Density

5.73 (NTP, 1992) (Relative to Air);5.73 (Air = 1)

Vapor Pressure

less than 1 mm Hg at 68 °F (NTP, 1992);3.2X10-5 mm Hg at 25 °C (est)

XLogP3

2.8

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