6,6'-di-tert-butyl-4,4'-butylidenedi-m-cresol

Inquiry

Molecular Formula:

C26H38O2

Molecular Weight:

382.58

CAS Number:

85-60-9

Catalog Number:

85-60-9

Product Information

Molecular Formula:

C26H38O2

Molecular Weight:

382.58

Description

6,6'-di-tert-butyl-4,4'-butylidenedi-m-cresol is a remarkable chemical compound that finds extensive application within the biomedical domain. Recognized for its exceptional antioxidant properties, this compound is widely utilized in the development of pharmaceuticals and personal care commodities. Its profound ability to combat oxidative stress safeguards against the deterioration of therapeutic agents and active components. Renowned for its contribution towards enhancing the stability and prolonging the shelf life of a multitude of medications and skincare products, it remains an invaluable ingredient in these formulations.

Synonyms

4,4'-BUTYLIDENE-BIS-(6-BUTYL-3-METHYLPHENOL); 4,4'-BUTYLIDENEBIS(6-T-BUTYL-3-METHYLPHENOL); 4,4'-BUTYLIDENEBIS(6-TERT-BUTYL-3-METHYLPHENOL); 4,4'-BUTYLIDENEBIS(6-TERT-BUTYL-M-CRESOL); SANTOWHITE(R) POWDER; 1,1-bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane;

IUPAC Name

2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol

Canonical SMILES

CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C

InChI

InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3

InChI Key

PFANXOISJYKQRP-UHFFFAOYSA-N

Boiling Point

475.5ºC at 760 mmHg

Melting Point

211ºC

Purity

95%

Density

1.001 g/cm3

Appearance

White to Off white powder

Application

Used as antioxidant for natural and synthetic rubber and latex.

Storage

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

8.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

382.287180451 g/mol

Monoisotopic Mass

382.287180451 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

444

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
JP-2022036178-A	Performance evaluation method and manufacturing control method of foamable laminate	2021-12-28
CN-114085528-A	Weather-proof heat-resistant PPO-PPS plastic alloy material and preparation method and application thereof	2021-12-22
JP-2022040133-A	A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same.	2021-12-15
JP-2022043096-A	Resin composition, method for manufacturing cured relief pattern, and semiconductor device	2021-12-01
JP-2022009110-A	Delamination resin film, interlayer insulation resin film with adhesive auxiliary layer, and printed wiring board	2021-10-13
CN-113640452-A	Detection method of body-consolidating and life-prolonging pills	2021-09-23
JP-2022008395-A	Red coloring composition for organic EL display device, color filter for organic EL display device and organic EL display device	2021-09-14
KR-102357010-B1	Manufacturing manufacturing method of metal furniture for interior with enhanced discoloration resistance	2021-06-21
KR-102313487-B1	Color rubber for wireless charger pads with anti-discoloration effects in natural conditions	2021-05-31
JP-6998483-B1	Ink composition	2021-05-12

Literatures

PMID	Publication Date	Title	Journal
20045927	2010-01-01	Increase in in utero exposure to a migrant, 4,4'-butylidenebis(6-t-butyl-m-cresol), from nitrile-butadiene rubber gloves on brain aromatase activity in male rats	Biological & pharmaceutical bulletin
19043201	2008-12-01	The effects of in utero exposure to a migrant, 4,4'-butylidenebis(6-t-butyl-m-cresol), from nitrile-butadiene rubber gloves on monoamine neurotransmitter in rats	Biological & pharmaceutical bulletin
17924095	2008-05-01	Uterotrophic assay, Hershberger assay, and subacute oral toxicity study of 4,4'-butylidenebis(2-tert-butyl-5-methylphenol) and 3-(dibutylamino)phenol, based on the OECD draft protocols	Archives of toxicology
18310895	2008-03-01	Endocrine disruptive effects of chemicals eluted from nitrile-butadiene rubber gloves using reporter gene assay systems	Biological & pharmaceutical bulletin
17941731	2007-11-01	Occurrence and estrogenicity of phenolics in paper-recycling process water: pollutants originating from thermal paper in waste paper	Environmental toxicology and chemistry
16231125	2006-04-01	Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect	Archives of toxicology
16278858	2006-03-01	Antioxidant inhibition of poly(carbonate urethane) in vivo biodegradation	Journal of biomedical materials research. Part A
15227669	2004-08-01	Oxidative mechanisms of poly(carbonate urethane) and poly(ether urethane) biodegradation: in vivo and in vitro correlations	Journal of biomedical materials research. Part A
12846157	2003-04-01	[Identification of migrants from nitrile-butadiene rubber gloves]	Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)