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

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

MSDS