4-TERT-BUTYL-2-METHYLPHENOL

Modify Date: 2026-07-01 11:51:45

4-TERT-BUTYL-2-METHYLPHENOL structure	Common Name	4-TERT-BUTYL-2-METHYLPHENOL
	CAS Number	98-27-1	Molecular Weight	164.244
	Density	1.0±0.1 g/cm3	Boiling Point	244.6±9.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₆O	Melting Point	28-33ºC
	MSDS	Chinese USA	Flash Point	109.9±7.2 °C
	Symbol	GHS05	Signal Word	Danger

Summary: 2-Hydroxy-4-methylben甲醛 (4-tert-butyl-2-methylphenol), also known as 4-(叔丁基)-2-甲基苯酚, CAS number 98-27-1, molecular formula C11H16O, molecular weight 164.244. 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	4-tert-butyl-2-methylphenol
Synonym	More Synonyms

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

Density	1.0±0.1 g/cm3
Boiling Point	244.6±9.0 °C at 760 mmHg
Melting Point	28-33ºC
Molecular Formula	C₁₁H₁₆O
Molecular Weight	164.244
Flash Point	109.9±7.2 °C
Exact Mass	164.120117
PSA	20.23000
LogP	3.63
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.513
InChIKey	SNKLPZOJLXDZCW-UHFFFAOYSA-N
SMILES	Cc1cc(C(C)(C)C)ccc1O

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

4-TERT-BUTYL-2-METHYLPHENOL MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK1578400

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

CAS REGISTRY NUMBER :: 98-27-1

BEILSTEIN REFERENCE NO. :: 1817502

LAST UPDATED :: 199709

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H16-O

MOLECULAR WEIGHT :: 164.27

WISWESSER LINE NOTATION :: QR B1 DX1&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 :: 81 mg/kg

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

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: 18,868,1975

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 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

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

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C: Corrosive;
Risk Phrases	R34
RIDADR	UN 2430 8/PG 3
RTECS	SK1578400
Hazard Class	8.0
HS Code	2907199090

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#:507-20-0 tert-butyl chloride CAS#:95-48-7 o-cresol CAS#:75-65-0 tert-Butanol CAS#:6342-04-7 (2-hydroxy-5-te...
CAS#:115-11-7 Isobutylene CAS#:78-83-1 isobutanol CAS#:128-37-0 Butylated hydro... CAS#:7664-38-2 Phosphoric acid
CAS#:107-39-1 2,4,4-Trimethyl... CAS#:2219-82-1 6-T-BUTYL-2-MET...
DownStream 9
CAS#:452-72-2 4-Fluoro-2-meth... CAS#:2213-66-3 5-Tert-butyl-3-... CAS#:20834-60-0 2-Bromo-4-tert-... CAS#:2219-82-1 6-T-BUTYL-2-MET...
CAS#:21862-63-5 trans-4-tert-Bu... CAS#:534-52-1 Dinitro-ortho-cresol CAS#:616-55-7 2,4-Di-tert-but... CAS#:95-48-7 o-cresol
CAS#:32569-81-6 4-tert-butyl-2-...

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

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Name: Acute toxicity measured as median lethal dose in mice; Range is 180-200
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL726040

Name: Hypnotic activity was measured as dose which causes loss of righting reflex for a min...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL722423

Total 4, Current Page 1 of 1

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

2-methyl-4-tert-butylphenol

4-1,1-dimethylethyl-2-methyl-phenol

o-Cresol,4-tert-butyl

2-Methyl-4-(2-methyl-2-propanyl)phenol

4-tert-butyl-o-cresol

4-Tert-Butyl-2-Methylphenol

4-(t-butyl)-2-cresol

Phenol,4-tert-butyl-2-methyl

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

4-TERT-BUTYL ORTHO-CRESOL

p-tert-Butyl-o-cresol

4-tert-butyl-2-methyl-pheno

4-tert-butyl-2-methylphenyl

4-tert-Butyl-2-methyl-phenol

2-methyl-p-tert-butylphenol

MFCD00020047

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

Q: What is the molecular formula of 4-tert-butyl-2-methylphenol?

A: Molecular formula of 4-tert-butyl-2-methylphenol is C11H16O.

Q: What is the InChIKey of 4-tert-butyl-2-methylphenol?

A: InChIKey of 4-tert-butyl-2-methylphenol is SNKLPZOJLXDZCW-UHFFFAOYSA-N.

Q: What is the LogP of 4-tert-butyl-2-methylphenol?

A: LogP of 4-tert-butyl-2-methylphenol is 3.63.

Q: What is the melting point of 4-tert-butyl-2-methylphenol?

A: Melting point of 4-tert-butyl-2-methylphenol is 28-33ºC.

Q: What are the upstream materials of 4-tert-butyl-2-methylphenol?

A: Related upstream materials(CAS) of 4-tert-butyl-2-methylphenol: 507-20-0;95-48-7;75-65-0;6342-04-7;115-11-7;78-83-1;128-37-0;7664-38-2;107-39-1;2219-82-1.

Q: What is the CAS number of 4-tert-butyl-2-methylphenol?

A: CAS number of 4-tert-butyl-2-methylphenol is 98-27-1.

Q: What is the molecular weight of 4-tert-butyl-2-methylphenol?

A: Molecular weight of 4-tert-butyl-2-methylphenol is 164.244.

Q: What is the polar surface area (PSA) of 4-tert-butyl-2-methylphenol?

A: Polar surface area (PSA) of 4-tert-butyl-2-methylphenol is 20.23000.

Q: What is the English name of 4-tert-butyl-2-methylphenol?

A: The English name of 4-tert-butyl-2-methylphenol is 4-tert-butyl-2-methylphenol.

Q: What is the SMILES notation of 4-tert-butyl-2-methylphenol?

A: SMILES notation of 4-tert-butyl-2-methylphenol is Cc1cc(C(C)(C)C)ccc1O.

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.

Zhongshan Xingrui Chemical Co. , Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-TERT-BUTYL-2-METHYLPHENOL
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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

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

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4-TERT-BUTYL-2-METHYLPHENOL

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MSDS

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4-TERT-BUTYL-2-METHYLPHENOLfactory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.