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HCID 6923Erstellt: 26. Oktober 2026

tert-Butylphenol

tert-butylphenol · (1,1-dimethylethyl)-Phenol · Phenol, (1,1-dimethylethyl)- · tert-butyl phenol (mixed isomers)

https://huagongshe.com/de/chemical/6923

Molekülstruktur von tert-Butylphenol

Identifikatoren & physikalische Daten

CAS No.27178-34-3
SummenformelC10H14O
Durchschnittliche Molmasse150,22 g/mol
Monoisotopische Masse150,10446507 g/mol
SMILESCC(C)(C)c1ccccc1O
InChIKeyWJQOZHYUIDYNHM-UHFFFAOYSA-N
PubChem CID6923
ChEMBLCHEMBL108851
ChEBICHEBI:34305
EC No.201-807-2
DTXSIDDTXSID2026525
Lokaler Nametert-Butylphenol

Chemische & physikalische Eigenschaften

XLogP3,3
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität123
StoffklassenOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
DuftstoffeFragrance Ingredient (Phenol, 2-(1,1-dimethylethyl)-) -> IFRA transparency List
LogP (Verteilungskoeffizient)log Kow = 3.31
Dichte0.9783 @ 20 °C/4 °CRelative density (water = 1): 0.98
Color/FormLIGHT YELLOW LIQUIDAmber-colored liquid
LöslichkeitSOL IN ALCOHOLVERY SOL IN ETHERSOL IN ALKALI, CARBON TETRACHLORIDESOL IN ISOPENTANE, TOLUENE & ETHYL ALCOHOLINSOL IN WATERSolubility in water, g/100ml at 20 °C: 0.2 (poor)
Flammpunkt110 °C230 °F OC80 °C c.c.
Siedepunkt223 °C @ 760 mm Hg
Schmelzpunkt-6.8 °C
DampfdichteRelative vapor density (air = 1): 5.2
Dampfdruck0.00015 [mmHg]1.5X10-4 mm Hg @ 25 °CVapor pressure, Pa at 20 °C: 5
EPA chemische InformationenPhenol, (1,1-dimethylethyl)- (27178-34-3)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 798 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische InformationenChemical: Phenol, 2-(1,1-dimethylethyl)-Phenol, 2-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)- 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: 21-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14446Phenol, (1,1-dimethylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.2-t-Butylphenol: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenEvaluation - Propyl and butyl phenols
BrandgefahrenCombustible. Above 80 °C explosive vapour/air mixtures may be formed.
GefahrenübersichtCauses somnolence, tremor, and respiratory depression in lethal-dose feeding studies of rats[RTECS] A moderate skin and eye irritantEmergency treatment: irritants[HSDB] A corrosive substance that can cause injury to the skin and eyesA respiratory tract irritant[ICSC] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractMay be absorbed through skinInhalation may cause chemical pneumonitis[MSDSonline]
UN-EinstufungUN Hazard Class: 8UN Pack Group: III
Chemical DangersReacts violently with strong oxidants, bases, acid anhydrides and acid chlorides. Attacks copper and its alloys.
Physical DangersThe vapour is heavier than air.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Acute Tox. 4 (99.4%)Flammable liquids - Category 4
Shipment Methods and RegulationsNo person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
Shipping Name/ Number DOT/UN/NA/IMOUN 3145Alkyl phenols, liquid, NOSUN 2430Alkyl phenols, solid, NOSIMO 8.0Alkyl phenols, liquid or solid, NOS
BrandbekämpfungUse powder, carbon dioxide, foam.
Erste-Hilfe-MaßnahmenFresh air, rest. Half-upright position. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .
Sichere LagerungSeparated from strong oxidants, strong bases, acid anhydrides, acid chlorides, metals and food and feedstuffs.
BrandbekämpfungsverfahrenIf material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Keep run-off water out of sewers and water sources. /Butyl phenols, liquid/
EntsorgungsverfahrenSRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Verschüttetes entsorgenPersonal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable plastic containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Preventive MeasuresIf material not on fire and not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. /Butyl phenols, liquid/Personnel protection: keep upwind. Avoid breathing vapors. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Avoid bodily contact with the material. /Butyl phenols, liquid/
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 80 °C use a closed system and ventilation.
Inhalation RiskEvaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly on spraying.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT GENERATION OF MISTS! IN ALL CASES CONSULT A DOCTOR!
WechselwirkungenINHIBITORY EFFECTS OF 18 SYNTHETIC PHENOLIC CMPD, ADDED TO DIET, ON BENZO[A]PYRENE-INDUCED NEOPLASIA OF THE FORESTOMACH OF FEMALE MICE WERE DETERMINED. GROUP OF CMPD WITH WEAKER INHIBITORY ACTION INCLUDED 2-TERT-BUTYLPHENOL.
UmweltverhaltenTERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1500(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that 2-t-butylphenol will have low mobility in soil(SRC). Limited data, mainly derived by analogy to 4-t-butylphenol, indicate that 2-t-butylphenol may be resistant to biodegradation(SRC). 4-t-Butylphenol (at 30 mg/L) was not biodegraded over a 2 week period using an activated sludge inoculum(4)in river and sea water 4-t-butylphenol showed 11% biodegradation over 3 days(5). However, resting cells of a Pseudomonas strain obtained by selective enrichment with 4-hydroxybenzoate as the sole carbon source, were able to biodegrade 2-t-butylphenol (oxygen uptake rate 26 nmol O2/min/mg protein)(6). Volatilization of 2-t-butylphenol from moist soil surfaces would be slow(SRC) given an estimated Henry's Law constant of 1.4X10-6 atm-cu m/mole(7,SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1500(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that 2-t-butylphenol would adsorb to suspended solids and sediment(SRC) in the water. 2-t-Butylphenol would volatilize slowly from water surfaces based on an estimated Henry's Law constant of 1.4X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 31 and 230 days, respectively(3,SRC). An estimated BCF value of 190(3,SRC), from an experimental log Kow(2), suggests that 2-t-butylphenol may bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(5). Limited data, mainly derived by analogy to 4-t-butylphenol, indicate that 2-t-butylphenol may be resistant to biodegradation(SRC). 4-t-Butylphenol (at 30 mg/L) was not biodegraded over a 2 week period using an activated sludge inoculum(6)in river and sea water 4-t-butylphenol showed 11% biodegradation over 3 days(7).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 1.5X10-4 mm Hg at 25 °C(2) indicates that 2-t-butylphenol will exist in both the vapor and particulate phases in the ambient atmosphere(SRC). Vapor-phase 2-t-butylphenol is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 9.5 hours(3,SRC). Particulate-phase 2-t-butylphenol may be physically removed from the air by wet and dry deposition(SRC).
Unerwünschte WirkungenDermatotoxin - Skin burns.
ExpositionspfadeThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and SymptomsCough. Sore throat. Shortness of breath.Redness. Pain. Burning sensation. Skin burns.Redness. Pain. Severe deep burns.Burning sensation in the throat and chest. Abdominal pain. Shock or collapse.
Effluent Concentrations2-t-Butylphenol was reported in the finished water from an advanced wastewater treatment plant at Lake Tahoe, CA at unreported concentrations(1).
ICSC Environmental DataThe substance is toxic to aquatic organisms.
Soil Adsorption/MobilityThe Koc of 2-t-butylphenol is estimated as approximately 1500(SRC), using an experimental log Kow of 3.31(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this Koc value suggests that 2-t-butylphenol has low mobility in soil(SRC).
Human Toxicity ExcerptsMODERATE IRRITANT TO EYES & SKIN.
Artificial Pollution Sources2-t-Butylphenol's production and use as an intermediate in the manufacture of synthetic resins, plasticizers, surface-active agents, and perfumes(1) or as a starting material for antioxidants and agrochemicals(2) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationResting cells of a Pseudomonas strain obtained by selective enrichment with 4-hydroxybenzoate as the sole carbon source, were able to biodegrade 2-t-butylphenol (oxygen uptake rate 26 nmol O2/min/mg protein)(1). 4-t-Butylphenol (at 30 mg/l) was not biodegraded over a 2 week period using an activated sludge inoculumin river and sea water 4-t-butylphenol showed 11% biodegradation over 3 days(3). By analogy to 4-t-butylphenol, 2-t-butylphenol may be recalcitrant to biodegradation in the environment(SRC).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
TSCA-Inventar-StatusTSCA listed
2-Tert-Butylphenol|Huagongshe