2,4-Di-t-butylphenol

Modify Date: 2026-06-30 10:54:46

2,4-Di-t-butylphenol structure	Common Name	2,4-Di-t-butylphenol
	CAS Number	96-76-4	Molecular Weight	206.324
	Density	0.9±0.1 g/cm3	Boiling Point	265.5±9.0 °C at 760 mmHg
	Molecular Formula	C₁₄H₂₂O	Melting Point	53-56 °C(lit.)
	MSDS	Chinese USA	Flash Point	115.0±0.0 °C
	Symbol	GHS07, GHS09	Signal Word	Warning

Use of 2,4-Di-t-butylphenol

2,4-Di-tert-butylphenol is an endogenous metabolite.

Summary: 2,4-Di-tert-butylphenol (Chinese name: 2,4-二叔丁基酚, CAS number: 96-76-4) is a transparent to light yellow semi-solid with molecular formula C14H22O and molecular weight 206.324. Melting point: 53-56 °C, boiling point: 265.5±9.0 °C, density: 0.9±0.1 g/cm3. Primarily used as an antioxidant, UV absorber, and an important intermediate for various light stabilizers and antioxidants. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	2,4-Di-tert-butylphenol
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	2,4-Di-tert-butylphenol is an endogenous metabolite.
Related Catalog	Research Areas >> Metabolic Disease
Target	Human Endogenous Metabolite

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	0.9±0.1 g/cm3
Boiling Point	265.5±9.0 °C at 760 mmHg
Melting Point	53-56 °C(lit.)
Molecular Formula	C₁₄H₂₂O
Molecular Weight	206.324
Flash Point	115.0±0.0 °C
Exact Mass	206.167068
PSA	20.23000
LogP	4.86
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.499
InChIKey	ICKWICRCANNIBI-UHFFFAOYSA-N
SMILES	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
Stability	Stable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass.
Water Solubility	practically insoluble

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

2,4-Di-t-butylphenol MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK8260000

CHEMICAL NAME :: Phenol, 2,4-di-tert-butyl-

CAS REGISTRY NUMBER :: 96-76-4

BEILSTEIN REFERENCE NO. :: 1910383

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C14-H22-O

MOLECULAR WEIGHT :: 206.36

WISWESSER LINE NOTATION :: 1X1&1&R BQ CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - sleep

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9390 No. of Facilities: 309 (estimated) No. of Industries: 7 No. of Occupations: 13 No. of Employees: 7488 (estimated) No. of Female Employees: 25 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H315-H319-H410
Precautionary Statements	P273-P305 + P351 + P338-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;N:Dangerousfortheenvironment;
Risk Phrases	R22;R36/38;R43;R50/53
Safety Phrases	S26-S36/37-S61-S37/39-S29-S24-S45-S36/37/39
RIDADR	UN 2430 8/PG 3
WGK Germany	2
RTECS	SK8260000
Packaging Group	III
Hazard Class	9
HS Code	29071900

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:32857-07-1 2-(dimethylamin... CAS#:128-39-2 2,6-Di-tert-but... CAS#:108-95-2 Phenol CAS#:115-11-7 Isobutylene
CAS#:507-19-7 2-Bromo-2-methy... CAS#:513-35-9 2-Methylbut-2-ene CAS#:1014-60-4 Benzene,1,3-bis... CAS#:507-20-0 tert-butyl chloride
CAS#:75-65-0 tert-Butanol CAS#:39117-89-0 5,7-ditert-buty...
DownStream 9
CAS#:110546-20-8 1,4-Bis(2-hydro... CAS#:3602-55-9 2-tert-Butyl-1,... CAS#:2460-77-7 2,5-Di-tert-but... CAS#:3846-71-7 2-(2H-Benzo[d][...
CAS#:3864-99-1 2-(2'-Hydroxy-3... CAS#:37942-07-7 3,5-Di-tert-but... CAS#:32857-07-1 2-(dimethylamin... CAS#:120695-70-7 Methylimino-2,2...
CAS#:120695-69-4 6,8-di-tert-but...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2907199090
Summary	2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Development and application of a non-targeted extraction method for the analysis of migrating compounds from plastic baby bottles by GC-MS.

Food Addit. Contam. Part A. Chem. Anal. Control. Expo. Risk Assess. 31(12) , 2090-102, (2014)

In 2011, the European Union prohibited the production of polycarbonate (PC) baby bottles due to the toxic effects of the PC monomer bisphenol-A. Therefore, baby bottles made of alternative materials, ...

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...

Human exposure assessment to a large set of polymer additives through the analysis of urine by solid phase extraction followed by ultra high performance liquid chromatography coupled to tandem mass spectrometry.

J. Chromatogr. A. 1423 , 111-23, (2015)

Polymer items are extensively present in the human environment. Humans may be consequently exposed to some compounds, such as additives, incorporated in these items. The objective of this work is to a...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Calculated partition coefficient (clogP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL631418

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293

Total 216, Current Page 1 of 22

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,4-ditert-butylphenol

2,4-Di-tert-butyl-phenol

2,4-Bis(2-methyl-2-propanyl)phenol

4,6-di-tert-butylphenol

1-Hydroxy-2,4-di-tert-butylbenzene

2,4-Di-t-butylphenol

MFCD00008828

EINECS 202-532-0

2,4-Di-tert-butylphenol

2,4-Bis(1,1-dimethylethyl)phenol

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of 2,4-Di-tert-butylphenol?

A: Related downstream products(CAS) of 2,4-Di-tert-butylphenol: 110546-20-8;3602-55-9;2460-77-7;3846-71-7;3864-99-1;37942-07-7;32857-07-1;120695-70-7;120695-69-4.

Q: How is the water solubility of 2,4-Di-tert-butylphenol?

A: Water solubility of 2,4-Di-tert-butylphenol: practically insoluble.

Q: What is the polar surface area (PSA) of 2,4-Di-tert-butylphenol?

A: Polar surface area (PSA) of 2,4-Di-tert-butylphenol is 20.23000.

Q: What is the molecular formula of 2,4-Di-tert-butylphenol?

A: Molecular formula of 2,4-Di-tert-butylphenol is C14H22O.

Q: What is the melting point of 2,4-Di-tert-butylphenol?

A: Melting point of 2,4-Di-tert-butylphenol is 53-56 °C(lit.).

Q: What is the English name of 2,4-Di-tert-butylphenol?

A: The English name of 2,4-Di-tert-butylphenol is 2,4-Di-tert-butylphenol.

Q: What are the uses of 2,4-Di-tert-butylphenol?

A: Main uses of 2,4-Di-tert-butylphenol: 2,4-Di-tert-butylphenol is an endogenous metabolite.

Q: What is the CAS number of 2,4-Di-tert-butylphenol?

A: CAS number of 2,4-Di-tert-butylphenol is 96-76-4.

Q: What is the SMILES notation of 2,4-Di-tert-butylphenol?

A: SMILES notation of 2,4-Di-tert-butylphenol is CC(C)(C)c1ccc(O)c(C(C)(C)C)c1.

Q: What is the InChIKey of 2,4-Di-tert-butylphenol?

A: InChIKey of 2,4-Di-tert-butylphenol is ICKWICRCANNIBI-UHFFFAOYSA-N.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2,4-Di-t-butylphenol
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2,4-Di-tert-butylphenol
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 2,4-Di-tert-butylphenol
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: 2,4-Di-t-butylphenol
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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