4-tert-Butylphenol

Bezeichnung:4-tert-Butylphenol

CAS-Nr98-54-4

Englisch Name:4-tert-Butylphenol

CBNumberCB1854749

SummenformelC10H14O

Molgewicht150.22

MOL-Datei98-54-4.mol

Synonyma

4-tert-Butylphenol

4-(1,1-Dimethylethyl)phenol

1-Hydroxy-4-tert-butylbenzol

4-tert-Butylphenol physikalisch-chemischer Eigenschaften

Schmelzpunkt	96-101 °C (lit.)
Siedepunkt	236-238 °C (lit.)
chüttdichte	450kg/m3
Dichte	0.908 g/mL at 25 °C (lit.)
Dampfdruck	1 mm Hg ( 70 °C)
Brechungsindex	1.4787
FEMA	3918 \| P-TERT-BUTYLPHENOL
Flammpunkt	113 °C
storage temp.	Store below +30°C.
Löslichkeit	ethanol: soluble50mg/mL, clear, colorless
pka	10.23(at 25℃)
Aggregatzustand	Flakes or Pastilles
Farbe	White to light beige
Wichte	0.908
PH	7 (10g/l, H2O, 20℃)
Geruch (Odor)	at 1.00 % in propylene glycol. oakmoss leather
Geruchsart	leathery
Explosionsgrenze	0.8-5.3%(V)
Biologische Quelle	synthetic
Wasserlöslichkeit	8.7 g/L (20 ºC)
Merck	14,1585
JECFA Number	733
BRN	1817334
Henry's Law Constant	8.9×10⁰ mol/(m³Pa) at 25℃, Parsons et al. (1972)
Stabilität	Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
InChI	1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKey	QHPQWRBYOIRBIT-UHFFFAOYSA-N
SMILES	CC(C)(C)c1ccc(O)cc1
LogP	3 at 23℃
CAS Datenbank	98-54-4(CAS DataBase Reference)
NIST chemische Informationen	Phenol, p-tert-butyl-(98-54-4)
EPA chemische Informationen	p-tert-Butylphenol (98-54-4)

Sicherheit

Kennzeichnung gefährlicher	Xi,N
R-Sätze:	37/38-41-51/53-62-38-37-34
S-Sätze:	26-39-61-36/37/39-45
RIDADR	UN 3077 9/PG 3
WGK Germany	2
RTECS-Nr.	SJ8925000
Selbstentzündungstemperatur	475°C
TSCA	TSCA listed
HazardClass	8
PackingGroup	III
HS Code	29071900
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Aquatic Chronic 1 Eye Dam. 1 Repr. 2 Skin Irrit. 2
Giftige Stoffe Daten	98-54-4(Hazardous Substances Data)
Toxizität	LD50 orally in rats: 3.25 ml/kg (Smyth)

Gefahreninformationscode (GHS)

4-tert-Butylphenol Chemische Eigenschaften,Einsatz,Produktion Methoden

ERSCHEINUNGSBILD
WEISSE HYGROSKOPISCHE FLOCKEN.
ARBEITSPLATZGRENZWERTE
TLV nicht festgelegt (ACGIH 2005).
MAK: 0,08 ppm, 0,5 mg/m? Spitzenbegrenzung: überschreitungsfaktor II(2); Hautresorption; Sensibilisierung der Haut; Schwangerschaft: Gruppe D (DFG 2006).
AUFNAHMEWEGE
Aufnahme in den Körper durch Inhalation des Aerosols und über die Haut.
INHALATIONSGEFAHREN
Verdampfung bei 20°C vernachlässigbar; eine gesundheitsschädliche Partikelkonzentration in der Luft kann jedoch beim Dispergieren schnell erreicht werden.
WIRKUNGEN BEI KURZZEITEXPOSITION
WIRKUNGEN BEI KURZZEITEXPOSITION:
Die Substanz reizt stark die Augen, die Hautund die Atemwege. Möglich sind Auswirkungen auf die Haut mit nachfolgender Depigmentierung.
WIRKUNGEN NACH WIEDERHOLTER ODER LANGZEITEXPOSITION
Wiederholter oder andauernder Hautkontakt kann Dermatitis hervorrufen. Wiederholter oder andauernder Kontakt kann zu Hautsensibilisierung führen. Möglich sind Auswirkungen auf Leber, Milz, Schilddrüseund Nervensystem mit nachfolgenden Funktionsstörungen.
LECKAGE
Verschüttetes Material in abdichtbaren Behältern sammeln; falls erforderlich durch Anfeuchten Staubentwicklung verhindern. Reste sorgfältig sammeln. An sicheren Ort bringen. Persönliche Schutzausrüstung: Atemschutzgerät, A/P2-Filter für organische Dämpfe und schädlichen Staub. NICHT in die Umwelt gelangen lassen.
R-Sätze Betriebsanweisung:
R37/38:Reizt die Atmungsorgane und die Haut.
R41:Gefahr ernster Augenschäden.
R51/53:Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S39:Schutzbrille/Gesichtsschutz tragen.
S61:Freisetzung in die Umwelt vermeiden. Besondere Anweisungen einholen/Sicherheitsdatenblatt zu Rate ziehen.
Beschreibung
Para-tertiary-butylphenol formaldehyde resin (PTBPF- R) is a polycondensate of para-tertiary-butylphenol and formaldehyde. Major occupational sources are neoprene glues and adhesives in industry, in the shoemaking and leather industry or in car production. It is also used as a box preservative in box and furniture manufacture, and in the production of casting moulds, car-brake linings, insulated electrical cables, adhesives, printing inks and paper laminates. Para-tertiary-butyl-phenol is the sensitizer.
Chemische Eigenschaften
4-tert-Butylphenol is a white to pale yellow crystalline solid at room temperature and is sold in solid form as flakes or briquettes. 4-tert-butylphenol is employed in coating products, polymers, adhesives, sealants and for the synthesis of other substances.
The major use is as a monomer in chemical synthesis, e.g. for the production of polycarbonate, phenolic resins, epoxy resins. PtBP is used as a chain terminator in the synthesis of polycarbonate polymers. The main uses of polycarbonate are in compact discs, DVD and CD Rom manufacture.
Occurrence
Reported found in origanum (Coridothymus cap. (L.) Richb.)
Verwenden
Polycarbonate Chain Terminator, Glycidyl Ethers; Phosphate Esters, Fragrances, Oil Field Chemicals-Demulsifiers; Plasticizer for cellulose acetate; intermediate for antioxidants, special starches, oil-soluble phenolic resins; pour-point depressors and emulsion breakers for petroleum oils and some plastics; synthetic lubricants; insecticides; industrial odorants; motor-oil additives.
Verwenden
4-tert-butylphenol on condensation with formaldehyde gives calix[5]arene which is used in enzyme mimetics.
Verwenden
4-tert-Butylphenol is a phenol derivative. Its contact with skin may lead to leukoderma. It is widely used in the polymer industry. Reaction of 4-tert-Butylphenol with mushroom tyrosinase has been reported to afford 4-t-butyl-o-benzoquinone and kinetics of this enzymatic reaction has been investigated.
Definition
ChEBI: 4-tert-butylphenol is a member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. It has a role as an allergen.
Application
4-tert-Butylphenol may be employed as carbon and energy supplement in the culture medium of Sphingobium fuliginis strains.
4-tert-Butylphenol is suitable reagent used in kinetic study of hydroxylation of 4-tert-butylphenol by mushroom tyrosinase. It may be used in the synthesis of calix[7]arene.
synthetische
Prepared by heating phenol with isobutanol in the presence of zinc chloride; also from phenol, tert- butyl chloride and excess alkali in alcohol
Synthesis Reference(s)
The Journal of Organic Chemistry, 22, p. 988, 1957 DOI: 10.1021/jo01359a609
Allgemeine Beschreibung
Crystals or practically white flakes. Has a disinfectant-like odor. May float or sink in water. Insoluble in water.
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
Phenols, such as 4-tert-Butylphenol, 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.
Hazard
Irritant to eyes and skin.
Brandgefahr
Combustible.
Kontakt-Allergie
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
Sicherheitsprofil
Poison by intraperitoneal route. Moderately toxic by skin contact and ingestion. A skin and severe eye irritant. Questionable carcinogen with experimental neoplastigenic data. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes. See also PHENOL and other butyl phenols.
mögliche Exposition
Butylphenols may be used as intermediates in manufacturing varnish and lacquer resins; as a germicidal agent in detergent disinfectants; as a pour point depressant, in motor-oil additives; de-emulsifier for oil; soap-antioxidant, plasticizer, fumigant, and insecticide
Versand/Shipping
UN2430 Alkylphenols, solid, n.o.s. (including C2-C12 homologues), Hazard class: 8; Labels: 8— Corrosive material
läuterung methode
Crystallise the phenol to constant melting point from pet ether (b 60-80o). It sublimes in vacuo. Also purify it via the benzoate, as for phenol. The salicylate ester [87-18-30] has m 63-64o (from aqueous EtOH, or EtOH). [Beilstein 6 IV 3296.]
Inkompatibilitäten
Vapors may form explosive mixture with air. These phenol/cresol materials can react with oxidizers; reaction may be violent. 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 cause the gas to ignite and explode. Heat is also generated by the acid-base reaction with bases; such heating may initiate polymerization of the organic compound. React with boranes, alkalies, aliphatic amines, amides, nitric acid, sulfuric acid. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). These reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid and can explode when heated. Many phenols form metal salts that may be detonated by mild shock

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