4-TERT-BUTYL-2-METHYLPHENOL

Modify Date: 2025-08-27 17:39:35

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

Name	4-tert-butyl-2-methylphenol
Synonym	More Synonyms

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

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

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

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

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-...

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%

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

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4-tert-butyl-o-cresol

4-Tert-Butyl-2-Methylphenol

4-(t-butyl)-2-cresol

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p-tert-Butyl-o-cresol

4-tert-butyl-2-methyl-pheno

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4-tert-Butyl-2-methyl-phenol

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MFCD00020047

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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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4-TERT-BUTYL-2-METHYLPHENOL
Price: ￥2698.0/10g ￥898.0/1g
Purity: 98.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.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

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

4-TERT-BUTYL-2-METHYLPHENOLBioassay

Synonyms

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.