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96-76-4

2,4-Di-tert-butylphenol

CAS: 96-76-4

Molecular Formula: C14H22O

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96-76-4 - Names and Identifiers

Name 2,4-Di-tert-butylphenol
Synonyms 2,4 DTBP
2,4-tert-butylphenol
2,4-DI-T-BUTYLPHENOL
2,4-DI-TERT-BUTYLPHENOL
2,4-di-tert-butyl-pheno
2.4-Di-tert-butylphenol
2,4-Di-tert-butylphenol
2,4-di(1,1-dimethylethyl)-pheno
2,4-bis(1,1-dimethylethyl)-pheno
2,4-bis(1,1-dimethylethyl)-phenol
CAS 96-76-4
EINECS 202-532-0
InChI InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKey ICKWICRCANNIBI-UHFFFAOYSA-N

96-76-4 - Physico-chemical Properties

Molecular FormulaC14H22O
Molar Mass206.32
Density0.887
Melting Point53-56°C(lit.)
Boling Point265°C(lit.)
Flash Point239°F
Water Solubilitypractically insoluble
Solubility Soluble in alcohols, esters, alkanes, aromatic hydrocarbons and other organic solvents, almost insoluble in water.
Vapor Presure1 mm Hg ( 84.5 °C)
AppearanceTransparent to yellowish semisolid/brownish solid
ColorWhite to yellow
BRN1910383
pKa11.56±0.18(Predicted)
PH4.5 (H2O, 20℃)(saturated aqueous solution)
Storage ConditionStore below +30°C.
StabilityStable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass.
SensitiveSensitive to light
Refractive Index1.5080
MDLMFCD00008828
Physical and Chemical PropertiesMelting point 54-59°C
boiling point 264°C
flash point 115°C
water-soluble practically insoluble
UseFor the synthesis of antioxidant 168, P-EPQ, light stabilizer 120UV-327, UV-320, UV absorber, reclaimed rubber activator 460, plasticizer

96-76-4 - Risk and Safety

Risk CodesR36/37/38 - Irritating to eyes, respiratory system and skin.
R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R43 - May cause sensitization by skin contact
R36/38 - Irritating to eyes and skin.
R22 - Harmful if swallowed
R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R41 - Risk of serious damage to eyes
R39/23/24/25 -
R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R11 - Highly Flammable
R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37 - Wear suitable protective clothing and gloves.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. 
S37/39 - Wear suitable gloves and eye/face protection
S29 - Do not empty into drains.
S24 - Avoid contact with skin.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S60 - This material and its container must be disposed of as hazardous waste.
UN IDsUN 2430 8/PG 3
WGK Germany2
RTECSSK8260000
TSCAYes
HS Code29071900
Hazard Class9
Packing GroupIII

96-76-4 - Reference

Reference
Show more
1. Zhang Yun, Ma Shaoying, Lu Xu, et al. Isolation and identification of exudates from pea roots and their allelopathic effects [J]. Plant physiology Communications, 2018, 3(3):3-3.
2. Zhang, Y.C., huang, R., lüs, F.L. et al. Aerobic oxidation of alcohol by copper(I)/benzoxazine ligand/TEMPO under milds and base-free conditions. Russ J Gen Chem 85, 1965-1972 (2015). https://doi.org/10.1134/S1070363215080277

96-76-4 - Introduction

Combustible has a special alkylphenol smell. Soluble in alcohols, esters, alkanes, aromatic hydrocarbons and other organic solvents, almost insoluble in water.
Last Update:2022-10-16 17:30:22

96-76-4 - Reference Information

LogP4.8 at 23℃
NIST chemical information information provided by: webbook.nist.gov (external link)
EPA chemical substance information information provided by: ofmpeb.epa.gov (external link)
Introduction 2, 4-di-tert-butylphenol widely exists in plants and is also an important intermediate of fine chemical products, mainly used for the preparation of antioxidant 168, but also for the preparation of polyisobutylene, polyamide, polycarbonate, etc.; Can be used for the production of antioxidants (300, 314), UV absorbers, light stabilizers 120, dyes and textile auxiliaries, 2402 resin. In addition, it is also used for the synthesis of perfumes, activators 460, initiators TBCP, pesticide emulsifiers, especially additives.
Use can be used as an intermediate of antioxidant, stabilizer and ultraviolet absorber.
used as antioxidant, UV absorber, etc.
is an important intermediate of a variety of light stabilizers, antioxidants
Antioxidant 168, antioxidant P-EPQ, light stabilizer 120,UV-327, UV-320, reclaimed rubber activator and other opportunities to synthesize intermediates
for the synthesis of antioxidant 168, P-EPQ, light stabilizer 120UV-327, UV-320, UV absorber, reclaimed rubber activator 460, plasticizers, etc.
The main raw materials for the preparation of phosphite antioxidants
production method results from the alkylation of phenol with isobutene.
toxic substance data information provided by: pubchem.ncbi.nlm.nih.gov (external link)
Last Update:2024-04-09 15:16:53
96-76-4
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View History
96-76-4
Benosan
VX-787
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399-96-2
叠氮丁酸
YOHIMBINE HCL(REAGENT / STANDARD GRADE)
(2-acetoxyethyl)trimethylammonium iodide
C.I. 73410
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