CAS 128-37-0|ional|2,6-di-tert-butyl-4-methylphenol|2,6-Di(tert-butyl)-4-methylphenol 99%|Butylated hydroxytoluene|2,6-Di(tert-butyl)-p-cresol|E321|3,5-di-<i>tert</i>-butyl-4-hydroxytoluene|2,6-di-<...

General Information

Structure

Molecular Formula

C₁₅H₂₄O

Molecular Mass

220.35046

Exact Mass

220.18271539

Charge

InChI

InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

InChIKey

NLZUEZXRPGMBCV-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

Isomeric Smiles

Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C

Calculated Properties

JChem

LogD (pH = 7.4)

5.27

LogD (pH = 5.5)

5.27

Log P

5.27

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

11.60

Polar Surface Area

20.23

Polarizability

27.34

Molar Refractivity

70.41

LOG S

-4.38

Data Source

Names and Identifiers

IUPAC Traditional name

ional

IUPAC name

2,6-di-tert-butyl-4-methylphenol

Synonyms

2,6-Di(tert-butyl)-4-methylphenol 99%Butylated hydroxytoluene2,6-Di(tert-butyl)-p-cresolE3213,5-di-tert-butyl-4-hydroxytolueneBUTYLATED HYDROXYTOLUENE2,6-di-tert-butyl-p-cresol (DBPC)2,6-DI-tert-BUTYL-4-HYDROXYMETHYL PHENOLAdditin RC 7110BHT2,6-di-tert-butyl-4-methylphenolAvox BHTAO-294-Methyl-2,6-bis(1,1-dimethylethyl)phenolIonol2,6-二叔丁基-4-甲基苯酚2,6-Di-tert-Butyl-p-Cresol2,6-Di-tert-butyl-p-cresolAdvastab 401Topanol2,6-Di-tert-butyl-4-hydroxytoluene2,6-Bis(1,1-dimethylethyl)-4-methylphenolDeenaxButylhydroxytoluenum2,6-二叔丁基对甲基苯酚2,6-二叔丁基-对甲酚2,6-Di-tert-butyl-4-methylphenol (BHT)2,6-Di-t-Butyl-4-MethylPhenol3,5-Di-tert-4-butylhydroxytoluene (BHT)DBPCButylhydroxytolueneDalpac2,6-Di(tert-butyl)hydroxytoluene二丁基羟基甲苯2,6-Di-tert-butyl-4-methylphenol丁基羟基甲苯Impruvol2,6-Ditertbutyl Paracresol2,6-二-叔-丁基-4-甲基苯酚 (BHT)3,5-二叔丁基-4-羟基甲苯 (BHT)3,5-Di-tert-butyl-4-hydroxytolueneButylated hydroxytoluene二丁基羟基甲苯2,6-二-叔-丁基-4-甲基苯酚2,6-Di-tert-butyl-4-methylphenol2,6-二叔丁基-4-甲基苯酚3,5-二叔丁基-4-羟基甲苯2,6-Di-tert-butyl-4-methylphenol2,6-di-tert-butyl-p-cresolbutylated hydroxytolueneFEMA 2184BHT2,6-di-tert-butyl-4-hydroxytoluene2,6-di-tert-butyl-4-methylhydroxybenzene1-hydroxy-4-methyl-2,6-di-tert-butylbenzene2,6-di-tert-butyl-4-cresolbutylhydroxytoluene2,6-di-tert-butyl-4-methylphenol2,6-bis(1,1-dimethylethyl)-4-methylphenol2,6-di-t-butyl-p-cresol2,6-di-t-butyl-4-methylphenol2,6-di-tert-butyl-1-hydroxy-4-methylbenzeneo-di-tert-butyl-p-methylphenol

Names and Identifiers

Registration numbers

E Number

MDL Number

Beilstein Number

CAS Number

PubChem SID

24845581248615082487075324900896248678201620753062489158511533739

EC Number

204-881-4

KEGG ID

D02413C14693

CHEMBL

146CHEMBL146

Unique Ingredient Identifier

1P9D0Z171K

Chemspider ID

1383529613,835,296

Wikipedia Title

Butylated_hydroxytoluene

CHEBI ID

FEMA ID

PubChem CID

Merck Index

MetaboLights Database

MTBLS1267MTBLS1302MTBLS298MTBLS5405MTBLS4012MTBLS2406MTBLS2187MTBLS2871

PubMed Citation Links

33039371337928453238788132397407118376863178036232304926246175433401379531029976298646973351973934041400246124263444306832322261

NMRShiftDB Database

10008752

Patent number

EP1803468EP1806123EP1787637EP1570839GB2208598EP1298126US2004161434US2007265208US2003149097EP1522219US2005054748US2005043543EP1752131US2005148558

BRENDA Database

6.3.2.23.1.1.21.13.11.633.2.1.35

HMDB Database

HMDB0033826

SABIO-RK Database

81683408

BindingDB Database

50079507

ACToR Database

25377-21-3128-37-0102962-45-8950-56-1

KEGG DRUG Database

BKMS React Database

SureChEMBL Database

FooDB Database

BRENDA Ligand Database

CompTox Database

LINCS Database

Reaxys Registry

Registration numbers

Properties

Pharmacology Properties

human ... CAPN1(823)rat ... Capn1(29153), Nos1(24598)

no known allergens

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02101162

Crystalline
Antioxidant

05221022

MP Biomedicals Rare Chemical collection

Wikipedia

Butylated_hydroxytoluene

Sigma Aldrich

B1378

包装
1 kg in poly bottle
100, 500 g in poly bottle
Biochem/physiol Actions
二丁基羟基甲苯 (BHT) 是一种酚类抗氧化剂。它可以抑制脂类过氧化。它会导致小鼠肺部损伤以及促进肿瘤生长，这可能是由于 BHT 的代谢产物造成，即 6-叔丁基-2-[2′-(2′-羟基甲基)-丙基]-4-甲基苯酚。还报道了 BHT 的代谢产物会引起培养细胞中的 DNA 链断裂以及核小体间 DNA 断裂（细胞凋亡的典型特征）。向大鼠进行单次 BHT 腹腔注射（60mg/kg 体重）会引起肝、肾、心脏、脾、大脑和肺部的核 DNA 甲基转移酶活动的显著提高。用 BHT 孵育肺泡巨噬细胞可以显著降低 TNF-α 的含量，这可以解释该抗氧化剂缓解炎症的机理。用 BHT 预孵育经阿司匹林处理的血小板可以抑制由蛋白激酶 C 活化剂引起的分泌、聚集以及蛋白质磷酸化。BHT 还可抑制由黄曲霉素 B1 诱发的肝癌形成。

D47404

Application
Antioxidant

240028

Application
Anti-oxidant.1

W218405

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1 kg in glass bottle
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

PHR1117

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

442377

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

ChEBI

CHEBI:34247

A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.

Molecule Details

References

PubChem Literature

From Data Sources

• Radical inhibitor and antioxidant, readily soluble in nonpolar media. Finds widespread use in the inhibition of peroxide formation in ether solvents and also as a preservative/ antioxidant for unsaturated oils and fats in the food, synthetic rubber and paint industries.

• Source of t-butyl group in aromatic substitution reactions. For reviews of the use of t-butyl as a positional protecting group for aromatic substitution reactions, readily removable with, e.g. AlCl ₃ in toluene, see: Org. Prep. Proced. Int., 8, 51 (1976); Synthesis, 921 (1979).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

ional

IUPAC name

2,6-di-tert-butyl-4-methylphenol

Synonyms

Molecule Details

MP Biomedicals

02101162

Crystalline
Antioxidant

05221022

MP Biomedicals Rare Chemical collection

Wikipedia

Butylated_hydroxytoluene

Sigma Aldrich

B1378

D47404

Application
Antioxidant

240028

Application
Anti-oxidant.1

W218405

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1 kg in glass bottle
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

PHR1117

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

442377

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

ChEBI

CHEBI:34247

A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay