tert-Butylhydroquinone

Description

tert-Butylhydroquinone is identified by CAS 1948-33-0, molecular formula C10H14O2 and molecular weight 166.10 g/mol. UNII C12674942B; ChEBI 78886; InChIKey BGNXCDMCOKJUMV-UHFFFAOYSA-N. Boiling Point: 563 °F at 760 mmHg (NTP, 1992); Boiling Point: 295 °C; Melting Point: 261 to 264 °F (NTP, 1992).

Identification

CAS Registry Number	1948-33-0
PubChem CID	16043
Molecular formula	C10H14O2
Molecular weight	166.10 g/mol
IUPAC name	2-tert-butylbenzene-1,4-diol
InChIKey	BGNXCDMCOKJUMV-UHFFFAOYSA-N
UNII (FDA)	C12674942B
ChEBI ID	CHEBI:78886

Computed Descriptors

Molecular Weight	166.22
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	40.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	563 °F at 760 mmHg (NTP, 1992)
Boiling Point	295 °C
Melting Point	261 to 264 °F (NTP, 1992)
Melting Point	126.5-128.5 °C
Melting Point	127 - 129 °C
Flash Point	340 °F (NTP, 1992)
Flash Point	171 °C (340 °F) - closed cup
Density	1.05
Vapor Density	5.73 (Air = 1)
Dissociation Constants	pKa = 10.7 at 22 °C

Physical description & handling notes

• Tert-butylhydroquinone appears as white to light tan crystalline powder or a fine beige powder. Very slight aromatic odor. (NTP, 1992)
• Dry Powder; Liquid; Wet Solid; Other Solid; Dry Powder
• White crystalline solid having a characteristic odour
• White to light tan solid; [HSDB] Tan powder; [MSDSonline]
• Solid
• White to light tan crystalline powder or a fine beige powder

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: ANTIOXIDANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS ANTIOXIDANT: Food Additives BUTYLHYDROQUINONE, tert- JECFA ADI: 0-0.7 mg/kg bw TRS 884-JECFA 49/11
GHS notification summary	3% (83 / 2730)

GHS Hazard Classification

GHS notification summary	3% (83 / 2730)
Reported hazard statements	H302, H312 (19.5%), H315 (25.6%), H317 (33.4%), H319 (45%), H400 (36.9%), H410 (13.2%), H335

Documented Uses

• CIR ingredient: t-Butyl Hydroquinone
• Used as antioxidant for fats and oils (approved for use in foods); [HSDB] Used at concentrations of 0.1 to 1.0% in cosmetics; Also used to prevent rancidity in food at concentrations of 0.02%; [REPROTOX]
• Metal Machining [Category: Heat or Machine]
• TBHQ is extensively used as an FDA-approved antioxidant (at concentrations up to 0.02% in terms of oil and fat content) in certain foods such as oils, fats, and meat products to slow oxidation and prevent rancidity ... . It is also used in cosmetic products such as lipstick, eye shadows, perfumes and skin care preparations at concentrations from 0.1 to 1.0%. It is also used as a polymerization inhibitor for styrene, butadiene, and other alkenes.
• TBHQ is most effective against oxidation in polyunsaturated vegetable oils, and is often used in soybean oil.
• Synthetic antioxidants commonly used in food include butylated hydroxyanisole (BHA), butylated hydroxytoluene (BHT), propyl gallate (PG), and tert-butylhydroquinone (TBHQ).

Synonyms

tert-Butylhydroquinone; 1948-33-0; TBHQ; 2-tert-Butylhydroquinone; T-BUTYLHYDROQUINONE; MTBHQ; 2-t-Butylhydroquinone; 2-tert-Butyl-1,4-benzenediol; Mono-tert-butylhydroquinone; Sustane; Mono-tertiarybutylhydroquinone; Tenox TBHQ; 2-(1,1-Dimethylethyl)-1,4-benzenediol; tert-Butyl-1,4-benzenediol; tertiary-Butylhydroquinone; Banox 20BA

Frequently Asked Questions

What are the CAS number and molecular formula of tert-Butylhydroquinone?

CAS 1948-33-0; molecular formula C10H14O2; molecular weight 166.10 g/mol.

What other names is tert-Butylhydroquinone known by?

tert-Butylhydroquinone, 1948-33-0, TBHQ, 2-tert-Butylhydroquinone, T-BUTYLHYDROQUINONE, MTBHQ.

What is the regulatory status of tert-Butylhydroquinone?

Documented regulatory listings: FDA Substance added to food: ANTIOXIDANT; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; ANTIOXIDANT: Food Additives.

Is tert-Butylhydroquinone classified as hazardous?

3% of GHS notifications report no hazard classification (83 of 2730).

What are the key physical properties of tert-Butylhydroquinone?

Boiling Point: 563 °F at 760 mmHg (NTP, 1992); Boiling Point: 295 °C; Melting Point: 261 to 264 °F (NTP, 1992); Melting Point: 126.5-128.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.