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98-54-4

98-54-4 Structure

98-54-4 Structure
IdentificationMore
[Name]

4-tert-Butylphenol
[CAS]

98-54-4
[Synonyms]

4-(1,1-DIMETHYL-1-ETHYL)PHENOL
4-(1,1-DIMETHYLETHYL)PHENOL
4-(A A-DIMETHYLETHYL)PHENOL
4-TERT-BUTYLPHENOL
4-TERTIARY BUTYL PHENOL
BUTYLPHEN
FEMA 3918
PARA-TERT-BUTYLPHENOL
PTBP
P-T-BUTYLPHENOL
P-TERT-BUTYLPHENOL
1-Hydroxy-4-tert-butylbenzene
2-(p-Hydroxyphenyl)-2-methylprpane
4-(1,1-dimethylethyl)-pheno
4-Hydroxy-1-tert-butylbenzene
4-t-Butylphenol
Lowinox 070
Lowinox PTBT
p-(tert-butyl)-pheno
Phenol, 4-(1,1-dimethylethyl)-
[EINECS(EC#)]

202-679-0
[Molecular Formula]

C10H14O
[MDL Number]

MFCD00002367
[Molecular Weight]

150.22
[MOL File]

98-54-4.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

96-101 °C(lit.)
[mp ]

96-101 °C(lit.)
[Boiling point ]

236-238 °C(lit.)
[bp ]

236-238 °C(lit.)
[density ]

0.908 g/mL at 25 °C(lit.)
[vapor pressure ]

1 mm Hg ( 70 °C)
[refractive index ]

1.4787
[FEMA ]

3918
[Fp ]

113 °C
[storage temp. ]

room temp
[solubility ]

ethanol: soluble50mg/mL, clear, colorless
[form ]

Flakes or Pastilles
[pka]

10.23(at 25℃)
[color ]

White to light beige
[Stability:]

Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
[PH]

7 (10g/l, H2O, 20℃)
[explosive limit]

0.8-5.3%(V)
[Water Solubility ]

8.7 g/L (20 ºC)
[Merck ]

14,1585
[BRN ]

1817334
[Contact allergens]

Para-tert-butylphenol is used with formaldehyde to produce the polycondensate p-tert-butylphenol-formaldehyde resins (PTBPFR). Major occupational sources are neoprene glues and adhesives in industry, in the shoemaking and leather industries or in car production. It is also used as a box preservative in box and furniture manufacture and in the production of casting molds, car brake linings, insulated electrical cables, adhesives, printing inks, and paper laminates. Para-tertbutylphenol seems to be the sensitizer
[InChIKey]

QHPQWRBYOIRBIT-UHFFFAOYSA-N
[CAS DataBase Reference]

98-54-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, p-tert-butyl-(98-54-4)
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Definition]

ChEBI: A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4..
[General Description]

Crystals or practically white flakes. Has a disinfectant-like odor. May float or sink in water. Insoluble in water.
[Reactivity Profile]

Phenols, such as 4-TERT-BUTYL PHENOL(98-54-4), do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Combustible.
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[RTECS ]

SJ8925000
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071900
[Toxicity]

LD50 orally in rats: 3.25 ml/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminium chloride-->Phenol-->tert-Butanol-->ISOBUTYLENE-->Benzoic acid-->AMBERLITE(R) IRC-50-->POLYISOBUTYLENE-->4-N-OCTYLPHENOL-->2,4,4-TRIMETHYL-2-PENTENE-->2,6-DTBP-->p-Tert-butylphenol
[Preparation Products]

PHENOL-FORMALDEHYDE RESIN-->2-[4-(TERT-BUTYL)PHENOXY]-5-NITROBENZALDEHYDE-->2-(4-TERT-BUTYLPHENOXY)CYCLOHEXANOL-->ALKYLPHENOL DISULFIDE-->6-TERT-BUTYL-4-METHYLCOUMARIN-->SALICYLIC ACID 4-TERT-BUTYLPHENYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(1,1-Dimethylethyl)phenol(98-54-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-tert-Butylphenol(98-54-4)MS
4-tert-Butylphenol(98-54-4)Raman
4-tert-Butylphenol(98-54-4)13CNMR
4-tert-Butylphenol(98-54-4)IR2
4-tert-Butylphenol(98-54-4)IR1
4-tert-Butylphenol(98-54-4)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-tert-Butylphenol, 97%(98-54-4)
[Alfa Aesar]

4-tert-Butylphenol, 99%(98-54-4)
[Sigma Aldrich]

98-54-4(sigmaaldrich)
[TCI AMERICA]

4-tert-Butylphenol,>98.0%(GC)(98-54-4)
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