4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)

HCID 92905
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1843-03-4
Standard SMILES
Cc1cc(O)c(C(C)(C)C)cc1C(C)CC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChIKey
PRWJPWSKLXYEPD-UHFFFAOYSA-N
Molecular formula
C37H52O3
Average molar mass
544.8 g/mol
Monoisotopic mass
544.39164552

Names & identifiers

Preferred name
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
IUPAC
4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
English name
1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE
Molecular formula
C37H52O3
Molecular weight
544.81

Names & synonyms

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)4,4',4''-(1-Methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-RefChem:5063721843-03-4Topanol CA1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butaneTri(butylcresyl)butane1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane1,1,3-Tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butaneMFCD00072238
Show more names
Antioxidant CAtpncOS 930gsy930henol)markao30topanolcaSeenox 336Mixxim AO 30ACETOSTAB CA
BF6E9O0XJN4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol39283-48-2OS-9304,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methylphenol]1,1,3-tri(3-tert-butyl-4-hydroxy-6-methylphenyl)butaneTrisalkofen BMB4,4',4''-(Butane-1,1,3-triyl)tris(2-(tert-butyl)-5-methylphenol)

Database identifiers

CAS
1843-03-4、39283-48-2
PubChem CID
92905
DTXSID
DTXSID0038883
UNII
BF6E9O0XJN
EC Number
217-420-7
Nikkaji
J47.628E

Properties

Computed structural properties

XLogP
11.5
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
40

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS

CosmeticsPlasticiser; Film forming; Solvent
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid; Dry Powder

Physicochemical properties

Melting point
183 · 183-190 °C(lit.)
Boiling point
578.54 °C · 578.54°C (rough estimate)
Density
0.5 g/cm3 · 0.5g/cm3
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.58 · 1.5800 (estimate)
Flash point
225 °F · 225 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.4% (10 of 225) of reports.

Warning

H317 (49.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 225 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 21-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5913

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (49.3%)

Safety data

wgk
1
tsca
TSCA listed
rtecs
SM1157000
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

UsesPlastics -> Typical concentration range in plastic materials -> 0.5 - 1.0%
U.S. Production2023: 400,000 - <550,000 lb
Industry UsesIntermediate
Use Classification · 3 items

Plastics -> Antioxidants

Cosmetics -> Plasticiser; Film forming; Solvent

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS

General Manufacturing Information · 2 items

Plastics Product Manufacturing

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-: ACTIVE

Applications · 1 item

Uses1,1,3-Tris(2-Methyl-4-hydroxy-5-tert-butylphenyl)butane is an excellent phenolic antioxidant and can be used as a stabilizer in polypropylene, polyethylene, polyvinyl chloride, ABS, polyoxymethylene and other resins and light-colored rubber products. It works synergistically with the antioxidant DLTP.

Upstream & downstream products

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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