2,6-Di-tert-butylphenol

Modify Date: 2026-06-30 20:41:55

2,6-Di-tert-butylphenol structure	Common Name	2,6-Di-tert-butylphenol
	CAS Number	128-39-2	Molecular Weight	206.324
	Density	0.9±0.1 g/cm3	Boiling Point	251.4±9.0 °C at 760 mmHg
	Molecular Formula	C₁₄H₂₂O	Melting Point	34-37 °C(lit.)
	MSDS	Chinese USA	Flash Point	118.3±0.0 °C
	Symbol	GHS07, GHS09	Signal Word	Warning

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

Name	2,6-Di-tert-butylphenol
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	0.9±0.1 g/cm3
Boiling Point	251.4±9.0 °C at 760 mmHg
Melting Point	34-37 °C(lit.)
Molecular Formula	C₁₄H₂₂O
Molecular Weight	206.324
Flash Point	118.3±0.0 °C
Exact Mass	206.167068
PSA	20.23000
LogP	4.86
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.499
InChIKey	DKCPKDPYUFEZCP-UHFFFAOYSA-N
SMILES	CC(C)(C)c1cccc(C(C)(C)C)c1O
Storage condition	2-8°C
Stability	Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
Water Solubility	insoluble

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

2,6-Di-tert-butylphenol MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK8265000

CHEMICAL NAME :: Phenol, 2,6-di-tert-butyl-

CAS REGISTRY NUMBER :: 128-39-2

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C14-H22-O

MOLECULAR WEIGHT :: 206.36

WISWESSER LINE NOTATION :: QR BX1&1&1 FX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 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: OTS0526583

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 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: 23,1350,1980

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >10 gm/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: OTS0526583

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >10 gm/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: OTS0526583 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 19708 mg/kg/3W-C

TOXIC EFFECTS :: Gastrointestinal - hypermotility, diarrhea Blood - change in clotting factors Related to Chronic Data - death

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 46,811,1978

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12480 ng/kg/12D-C

TOXIC EFFECTS :: Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

REFERENCE :: BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 45,935,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4376 No. of Facilities: 196 (estimated) No. of Industries: 9 No. of Occupations: 12 No. of Employees: 2192 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4376 No. of Facilities: 13899 (estimated) No. of Industries: 175 No. of Occupations: 97 No. of Employees: 365623 (estimated) No. of Female Employees: 72928 (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-H410
Precautionary Statements	P273-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;N:Dangerousfortheenvironment;
Risk Phrases	R22;R51/53
Safety Phrases	S26-S36-S61-S29
RIDADR	UN 3145 8/PG 3
WGK Germany	2
RTECS	SK8265000
Packaging Group	III
Hazard Class	9
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#:1516-95-6 1,3-Di-tert-but... CAS#:75-65-0 tert-Butanol CAS#:108-95-2 Phenol CAS#:115-11-7 Isobutylene
CAS#:507-19-7 2-Bromo-2-methy... CAS#:719-22-2 2,6-Di-tert-but... CAS#:2455-14-3 3,3',5,5'-Tetra... CAS#:124-38-9 Carbon dioxide
CAS#:6669-13-2 Phenyl-t-butylether CAS#:1139-52-2 4-Bromo-2,6-di-...
DownStream 9
CAS#:100-67-4 POTASSIUMPHENOLATE CAS#:4906-22-3 4-(3,5-dimethyl... CAS#:527-61-7 2,6-dimethyl-p-... CAS#:2455-14-3 3,3',5,5'-Tetra...
CAS#:880-06-8 4-hydroxy-3,5-d... CAS#:2417-04-1 2,2',6,6'-Tetra... CAS#:126657-30-5 3,5-Dimethyl-3'... CAS#:4130-42-1 2,6-di-tert-but...
CAS#:718624-10-3 1,3-bis(3,5-di-...

This table records publicly available preparation methods, process key points and operation references.

128-39-2 preparation

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.

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...

Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols.

Bioorg. Med. Chem. 17 , 3207-11, (2009)

The inhibition of two human cytosolic carbonic anhydrase (hCA, EC 4.2.1.1) isozymes I and II, with a series of phenol derivatives was investigated by using the esterase assay, with 4-nitrophenyl aceta...

Antioxidant activity of propofol and related monomeric and dimeric compounds.

Chem. Pharm. Bull. 53(3) , 344-6, (2005)

This study was carried out to investigate the antioxidant activity of propofol (2,6-diisopropylphenol) and its related compounds, butylated hydroxyanisole (BHA), 2,6-dimethylphenol, 2,6-di-t-butylphen...

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 227, Current Page 1 of 23

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

MFCD00008820

2,6-Bis(2-methyl-2-propanyl)phenol

EINECS 204-884-0

2,6-bis(1,1-Dimethylethyl)phenol

2,6-ditert-butylphenol

2,6-Di-tert-butylphenol

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

Q: What is the polar surface area (PSA) of 2,6-Di-tert-butylphenol?

A: Polar surface area (PSA) of 2,6-Di-tert-butylphenol is 20.23000.

Q: What English synonyms does 2,6-Di-tert-butylphenol have?

A: English synonyms of 2,6-Di-tert-butylphenol: MFCD00008820, 2,6-Bis(2-methyl-2-propanyl)phenol, EINECS 204-884-0, 2,6-bis(1,1-Dimethylethyl)phenol, 2,6-ditert-butylphenol, 2,6-Di-tert-butylphenol.

Q: What is the InChIKey of 2,6-Di-tert-butylphenol?

A: InChIKey of 2,6-Di-tert-butylphenol is DKCPKDPYUFEZCP-UHFFFAOYSA-N.

Q: What is the safety information for 2,6-Di-tert-butylphenol?

A: Safety information for 2,6-Di-tert-butylphenol: S26-S36-S61-S29.

Q: What are the storage conditions for 2,6-Di-tert-butylphenol?

A: Storage conditions for 2,6-Di-tert-butylphenol: 2-8°C.

Q: What is the molecular formula of 2,6-Di-tert-butylphenol?

A: Molecular formula of 2,6-Di-tert-butylphenol is C14H22O.

Q: What is the CAS number of 2,6-Di-tert-butylphenol?

A: CAS number of 2,6-Di-tert-butylphenol is 128-39-2.

Q: How is the water solubility of 2,6-Di-tert-butylphenol?

A: Water solubility of 2,6-Di-tert-butylphenol: insoluble.

Q: What is the molecular weight of 2,6-Di-tert-butylphenol?

A: Molecular weight of 2,6-Di-tert-butylphenol is 206.324.

Q: What are the downstream products of 2,6-Di-tert-butylphenol?

A: Related downstream products(CAS) of 2,6-Di-tert-butylphenol: 100-67-4;4906-22-3;527-61-7;2455-14-3;880-06-8;2417-04-1;126657-30-5;4130-42-1;718624-10-3.

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.

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: 2,6-Di-tert-butylphenol
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2,6-Di-tert-butylphenol suppliers in China
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: 2,6-Di-tert-butylphenol
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Get all suppliers and price by the below link:

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2,6-Di-tert-butylphenol

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Preparation

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Articles27

2,6-Di-tert-butylphenolBioassay

Synonyms

2,6-Di-tert-butylphenol | FAQ

2,6-Di-tert-butylphenolfactory

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.