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

Inquiry

Molecular Formula:

C16H26O

Molecular Weight:

234.38

CAS Number:

4130-42-1

Catalog Number:

4130-42-1

Product Information

Molecular Formula:

C16H26O

Molecular Weight:

234.38

Description

2,6-di-tert-butyl-4-ethylphenol is an alkylbenzene.

Synonyms

ANTIOXIDANT BHEB; BHEB; 2,6-bis(1,1-dimethylethyl)-4-ethylphenol; 2,6-DI-TERT-BUTYL-1-HYDROXY-4-ETHYLBENZENE; 2,6-DITERTIARY BUTYL-4-ETHYL PHENOL; 2,6-DI-TERT-BUTYL-4-ETHYLPHENOL

IUPAC Name

2,6-ditert-butyl-4-ethylphenol

Canonical SMILES

CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3

InChI Key

BVUXDWXKPROUDO-UHFFFAOYSA-N

Boiling Point

272°C

Melting Point

>44°C

Purity

98%

Density

272

Solubility

2.115 mg/L at 25 °C (est)

Appearance

light yellow liquid

LogP

5.678 (est)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.

Precautionary Statement

P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

5.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

234.198365449 g/mol

Monoisotopic Mass

234.198365449 g/mol

Topological Polar Surface Area

20.2Å²

Heavy Atom Count

Formal Charge

Complexity

219

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2021124030-A1	Lubricating oil compositions comprising a polyalphaolefin	2019-12-20
WO-2021124726-A1	Fiber-reinforced resin molding material, fiber-reinforced resin molded article, and method for manufacturing fiber-reinforced resin molded article	2019-12-20
WO-2021124948-A1	Intermediate film for laminated glass, and laminated glass	2019-12-19
WO-2021125184-A1	Resin composition, molded article thereof, and method for producing said resin composition	2019-12-18
WO-2021127183-A1	Polymeric surfactant compound	2019-12-18
WO-2021125070-A1	Stable composition comprising combination of cinnamic acid derivatives with specific ingredients	2019-12-16
US-2021179838-A1	Coating-free metallic thermoplastic resin composition having improved metallic texture and gloss	2019-12-13
WO-2021117906-A1	Lubricating oil composition	2019-12-13
WO-2021119375-A1	Refrigerant compositions comprising r-32, r-134a, and cf3i	2019-12-12
WO-2021111834-A1	Photosensitive resin composition, photosensitive resin coating, photosensitive dry film, pattern forming method, and light emitting element	2019-12-03

Literatures

PMID	Publication Date	Title	Journal
11672698	2001-11-28	Comparative metabolism, covalent binding and toxicity of BHT congeners in rat liver slices	Chemico-biological interactions

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