2-tert-ブチルフェノール

log Kow = 3.31

3.3

0.9783 @ 20 °C/4 °C

Relative density (water = 1): 0.98

LIGHT YELLOW LIQUID

Amber-colored liquid

SOL IN ALCOHOL; VERY SOL IN ETHER; SOL IN ALKALI, CARBON TETRACHLORIDE

SOL IN ISOPENTANE, TOLUENE & ETHYL ALCOHOL

INSOL IN WATER

Solubility in water, g/100ml at 20 °C: 0.2 (poor)

110 °C

230 °F OC

80 °C c.c.

223 °C @ 760 mm Hg

223 °C

-6.8 °C

-6.8 °C

0.00015 [mmHg]

1.5X10-4 mm Hg @ 25 °C

Vapor pressure, Pa at 20 °C: 5

Danger

H302 (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.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Chemical: 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/14446

Phenol, (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

Causes somnolence, tremor, and respiratory depression in lethal-dose feeding studies of rats; [RTECS] A moderate skin and eye irritant; Emergency treatment: irritants; [HSDB] A corrosive substance that can cause injury to the skin and eyes; A respiratory tract irritant; [ICSC] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; May be absorbed through skin; Inhalation may cause chemical pneumonitis; [MSDSonline]

Acute Tox. 4 (100%)

Acute Tox. 4 (99.4%)

Flammable liquids - Category 4

No 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.

UN 3145; Alkyl phenols, liquid, NOS

UN 2430; Alkyl phenols, solid, NOS

IMO 8.0; Alkyl phenols, liquid or solid, NOS

Fresh 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 .

SRP: 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.

Personal 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.

If 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/

TERRESTRIAL 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).

Cough. 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.

The 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).

2-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).

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)(1). 4-t-Butylphenol (at 30 mg/l) was not biodegraded over a 2 week period using an activated sludge inoculum; in 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).

Used as a chemical intermediate for synthetic resins, plasticizers, surface-active agents, perfumes, antioxidants, and agrochemicals; Also used as an antioxidant for aviation gasoline; [HSDB]

Petroleum Production and Refining [Category: Industry]

CHEMICAL INTERMEDIATE FOR SYNTHETIC RESINS, PLASTICIZERS, SURFACE-ACTIVE AGENTS, PERFUMES, & OTHER PRODUCTS

PERMISSIBLE ANTIOXIDANT FOR AVIATION GASOLINE

2-t-Butylphenol is a starting material for the synthesis of antioxidants and agrochemicals. Fragrance compounds are made from cis-2-t-butylcyclohexanol which is obtained by hydrogenation of 2-t-butylphenol in the presence of catalysts.

Derivatives: 2-t-butylcyclohexyl acetate; dinoterb; ethylene glycol bis(3,3-bis(3-t-butyl-4-hydroxyphenyl)butyrate); 2,2'-methylenebis(4-ethyl-6-t-butyl-phenol)

Isobutylene + phenol (orthoalkylation; coproduced with 2,6-di-t-butylphenol

2-t-Butylphenol is obtained as the main alkylation product if phenol is reacted with isobutene in the presence of sulfonated polystyrene-polydivinylbenzene ion-exchange resins. Reaction of phenol and isobutene in a 1:0.42 molar ratio at 95 °C gives a product mixture. ... 2-t-Butylphenol is obtained in a purity of 99% by distillation. 2-t-Butylphenol is formed with relatively high selectivity by reaction of phenol and isobutene over a gamma aluminum trioxide-catalyst that has been tabletted with 10% graphite and preconditioned by heating to 650 °C in an air stream. ... The selectivity for 2-t-butylphenol is 88% based on phenol conversion.

2-t-Butylphenol is formed with relatively high selectivity by reaction of phenol and isobutene over a gamma aluminum trioxide-catalyst that has been tabletted with 10% graphite and preconditioned by heating to 650 °C in an air stream. ... The selectivity for 2-t-butylphenol is 88% based on phenol conversion.

All Other Basic Organic Chemical Manufacturing

Phenol, 2-(1,1-dimethylethyl)-: ACTIVE

Phenol, (1,1-dimethylethyl)-: ACTIVE

2-TERT-BUTYLPHENOL WAS PREPARED AND EVALUATED AS INTRAVENOUS ANESTHETIC AGENT.