CAS 88-58-4|2,5-Di-tert-butylhydroquinone

Introduction：Basic information about CAS 88-58-4|2,5-Di-tert-butylhydroquinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2,5-Di-tert-butylhydroquinone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles30
8. Synonyms

Common Name	2,5-Di-tert-butylhydroquinone
CAS Number	88-58-4	Molecular Weight	222.323
Density	1.0±0.1 g/cm3	Boiling Point	334.4±37.0 °C at 760 mmHg
Molecular Formula	C₁₄H₂₂O₂	Melting Point	216-218 °C(lit.)
MSDS	ChineseUSA	Flash Point	151.5±21.1 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2,5-di-tert-butylbenzene-1,4-diol
Synonym	More Synonyms

2,5-Di-tert-butylhydroquinone BiologicalActivity

Description	2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].
Related Catalog	Research Areas >>Inflammation/ImmunologySignaling Pathways >>Metabolic Enzyme/Protease >>5-LipoxygenaseSignaling Pathways >>Immunology/Inflammation >>COX
Target	5-LO:1.8 μM (IC50) COX-2:14.1 μM (IC50)
In Vitro	DTBHQ influences arachidonic acid (AA) metabolism in biologically relevant concentrations in vitro[1].
References	[1]. Zsofia Kutil, et al. The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro. Food and Agricultural Immunology. Volume 26, 2015-Issue 4.

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	334.4±37.0 °C at 760 mmHg
Melting Point	216-218 °C(lit.)
Molecular Formula	C₁₄H₂₂O₂
Molecular Weight	222.323
Flash Point	151.5±21.1 °C
Exact Mass	222.161987
PSA	40.46000
LogP	4.02
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.520
InChIKey	JZODKRWQWUWGCD-UHFFFAOYSA-N
SMILES	CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
Storage condition	Store at RT
Stability	Stable. Incompatible with oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MX5160000

CHEMICAL NAME :: Hydroquinone, 2,5-di-tert-butyl-

CAS REGISTRY NUMBER :: 88-58-4

BEILSTEIN REFERENCE NO. :: 2049542

LAST UPDATED :: 199707

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C14-H22-O2

MOLECULAR WEIGHT :: 222.36

WISWESSER LINE NOTATION :: L6V DVJ BX1&1&1 EX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6426 mg/kg/3W-C

TOXIC EFFECTS :: Blood - change in clotting factors Related to Chronic Data - death

REFERENCE :: JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 109,453,1979 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 134 gm/kg/24W-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 12,1341,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7949 No. of Facilities: 155 (estimated) No. of Industries: 8 No. of Occupations: 14 No. of Employees: 14136 (estimated) No. of Female Employees: 6832 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	MX5160000
HS Code	29072900

Customs

HS Code	2907299090
Summary	2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Articles30

Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Eur. J. Med. Chem. 46 , 1512-23, (2011)

Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for n...

Effect of methoxychlor on Ca(2+) movement and viability in MDCK renal tubular cells.

Basic Clin Pharmacol Toxicol. 111(4) , 224-31, (2012)

The effect of the insecticide methoxychlor on the physiology of renal tubular cells is unknown. This study aimed to explore the effect of methoxychlor on cytosolic Ca(2+) concentrations ([Ca(2+) ](i) ...

Two distinct calcium pools in the endoplasmic reticulum of HEK-293T cells.

Biochem. J. 435(1) , 227-35, (2011)

Agonist-sensitive intracellular Ca2+ stores may be heterogeneous and exhibit distinct functional features. We have studied the properties of intracellular Ca2+ stores using targeted aequorins for sele...

Synonyms

2,5-Bis(2-methyl-2-propanyl)-1,4-benzenediol

MFCD00008825

2,5-TBHQ

EINECS 201-841-8

1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-

2,5-Di-tert-Butyl-1,4-hydroquinone (DBHQ)

2,5-di-tert-butylhydroquinone

2,5-Di-tert-butylbenzene-1,4-diol

2,5-DITERT-BUTYLBENZENE-1,4-DIOL

2,5-Di-tert-butyl-1,4-hydroquinone

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