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Tributylborat
BORIC ACID TRIBUTYL ESTER · n-Butoxide · TRI-N-BUTYL BORATE · AI311060 · borester2 · AI3 11060 · AI3-11060 · Borester 2
Identifikatoren & physikalische Daten
| CAS No. | 688-74-4 |
|---|---|
| Summenformel | C12H27BO3 |
| Durchschnittliche Molmasse | 230,15 g/mol |
| Monoisotopische Masse | 230,20532512 g/mol |
| SMILES | CCCCOB(OCCCC)OCCCC |
| InChIKey | LGQXXHMEBUOXRP-UHFFFAOYSA-N |
| PubChem CID | 12712 |
| EC No. | 211-706-5 |
| DTXSID | DTXSID9026184 |
| Lokaler Name | Tributylborat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 27,7 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 110 |
| Stoffklassen | Metals -> Metalloid Compounds (Boron) |
| Geruch | Like n-butanol |
| Dichte | 0.8567 at 68 °F (NTP, 1992) - Less dense than waterwill float0.8567 g/cu cm at 20 °C0.847 @ 20°C0.853 g/mL at 25 °C (lit.) |
| Viscosity | 1.601 centipoise at 25 °C |
| Color/Form | Water-white liquidColorless, mobile, moisture sensitive liquid |
| Löslichkeit | Decomposes (NTP, 1992)Soluble in ethanol, benzenevery soluble in ethyl ether, methanolMiscible with common organic liquidssoluble in Methanol,Benzene,Ethanol |
| Flammpunkt | 200 °F (open cup) |
| Siedepunkt | 446 to 448 °F at 760 mmHg (NTP, 1992)234 °C230 °C @760 [mm Hg]114-115 °C/12 mmHg (lit.) 230-235 °C (lit.) |
| Decomposition | When heated to decomposition or on contact with acid or acid fumes it can emit toxic fumes. |
| Schmelzpunkt | less than -94 °F (NTP, 1992)Freezing point below -70 °C-70 °C (lit.) |
| Dampfdichte | 7.95 (NTP, 1992) - Heavier than airwill sink (Relative to Air)7.94 (Air = 1)7.95 (vs air) |
| Dampfdruck | 0.52 [mmHg]0.526 mm Hg at 25 °C3.79hPa at 25℃ |
| Brechungsindex | n20/D 1.409(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 0.853 |
| Farbe | Clear colorless |
| BRN | 1703865 |
| Stabilität | Stables, but reacts rapidly with moisture, water. Reacts vigorously with oxidizing agents. Incompatible with strong acids. |
| InChI | 1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 |
| InChIKey | LGQXXHMEBUOXRP-UHFFFAOYSA-N |
| SMILES | CCCCOB(OCCCC)OCCCC |
| LogP (Verteilungskoeffizient) | 1 at 25℃ |
| CAS Datenbank | 688-74-4(CAS DataBase Reference) |
| NIST chemische Informationen | Boric acid, tributyl ester(688-74-4) |
| EPA chemische Informationen | Tributyl borate (688-74-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (92.2%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 629 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Boric acid (H3BO3), tributyl esterBoric acid (H3BO3), tributyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), tributyl ester 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: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23096Boric acid (H3BO3), tributyl ester: 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. |
| DOT-Kennzeichnung | Combustible Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Brandpotenzial | Combustible |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: Toxicmay emit toxic fumes when heated to decomposition or on contact with acid or acid fumes, local irritant. (NTP, 1992) |
| Gefahrenübersicht | An eye and respiratory tract irritantOral LD50 (mouse) =2150 mg/kgDecomposes in the presence of water to boric acid and n-butanol[HSDB] Decomposed quickly by water[CAMEO] Hydrolyzed by waterAn irritant[MSDSonline] See Boric acid. See Triethyl borate. |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Special Reports | USEPA/OWRSQuality Criteria for Water 1986 Boron (1986) EPA 440/5-86-001 |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | Borates behave similarly to esters in that they react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters/borates with alkali metals and hydrides. Reacts vigorously with oxidizing materials. (NTP, 1992). |
| Air and Water Reactions | Rapidly decomposes in water(NTP, 1992). |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures. |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Brandbekämpfungsverfahren | To fight fire, use foam, CO2, dry chemical. |
| Freisetung ohne Brand | STORAGE PRECAUTIONS: Store in a refrigerator and protect from moisture. Keep away from oxidizing materials. (NTP, 1992) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Preventive Measures | SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Protective Action Criteria (PAC) | 3.5 [ppm]39 [ppm]230 [ppm] |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Other Standards Regulations and Guidelines | 1-5 mg/cu m (USSR) /Borates/Limit for livestock is 5 ug/ml boron in water. /Boron/0.5 mg/L maximum (USSR) /Boron in drinking water/ |
| Umweltverhalten | TERRESTRIAL FATE: Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC).AQUATIC FATE: Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tributyl borate, which has a vapor pressure of 0.526 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(3,4). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC). |
| Medical Surveillance | No specific considerations are needed for boric acid or borates except for general health and liver and kidney function. /Boric acid and borates/ |
| Soil Adsorption/Mobility | Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC). Adsorption to soil or suspended particles in water is not considered an important environmental fate for tributyl borate(SRC). |
| Natural Pollution Sources | Borates are found in ocean water, sedimentary rocks, coal, shale, and soils(1). |
| Artificial Pollution Sources | Tributyl borate's production and use in welding flux, as a flame retardant for textiles, and its use in the preparation of borohydrides(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Biodegradation in not considered an important environmental fate for tributyl borate(SRC). |
| Environmental Bioconcentration | Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC). Bioconcentration is not considered an important environmental fate for tributyl borate(SRC). |
| Volatilization from Water/Soil | Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC). Volatilization from water or soil is not considered an important environmental fate for tributyl borate(SRC). |
| Environmental Abiotic Degradation | Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for tributyl borate in the environment(SRC). |
| Probable Routes of Human Exposure | Occupational exposure to tributyl borate may occur through inhalation and dermal contact with this compound at workplaces where tributyl borate is produced or used. Exposure to the general population may occur via dermal contact with flame retardant textiles treated with tribultyl boratehowever, this exposure could be compromised due to the rapid decomposition of tributyl borate upon contact with water. (SRC) |
| Environmental Fate/Exposure Summary | Tributyl borate's production and use in welding flux, as a flame retardant for textiles, and its use in the preparation of borohydrides may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 0.526 mm Hg at 25 °C indicates tributyl borate will exist solely as a vapor in the ambient atmosphere. Tributyl borate is rapidly hydrolyzed to boric acid and n-butanol in the presence of water. Hydrolysis would be expected to be the dominate fate for tributyl borate in the environment. Tributyl borate is expected to have a very short existence in the environment. Occupational exposure to tributyl borate may occur through inhalation and dermal contact with this compound at workplaces where tributyl borate is produced or used. Exposure to the general population may occur via dermal contact with flame retardant textiles treated with tribultyl boratehowever, this exposure could be compromised due to the rapid decomposition of tributyl borate upon contact with water. (SRC) |
| Antidote and Emergency Treatment | Maintain an open airway and assist ventilation if nescessary. treat coma, seizures, hypotension, and renal failure if they occur. There is no specific antidote. Administer activated charcoal (although boric acid is not well absorbed). Consider gastric lavage for large ingestions. /Boric acid, Borates, and Boron/Hemodialysis is effective and is indicated after massive ingestions and for supportive care of renal failure. Peritoneal dialysishas not proved effective in enhancing elimination in infants. /Boric acid, Borates, and Boron/In acute poisonings, if a large amount has been ingested and the patient is seen within one hour of exposure, gastrointestinal decontamination should be considered ... .It is important to keep in mind that vomiting and diarrhea are common, and severe poisoning may be associated with seizures. Therefore induction of emesis by syrup of ipecac is probably contraindicated in these exposures. Catharsis is not indicated if diarrhea is present. /Boric acid and Borates/If ingestion of borate has been massive (several grams), or has extended over several days, administer intravenous glucose and electrolyte solutions to sustain urinary excretion of borate. Monitor fluid balance and serum electrolytes (including bicarbonate capacity ) regularly. Monitor cardiac status by ECG. Test the urine for proteins and cells to detect renal injury, and monitor serum concentration of borate. Metabolic acidosis may be treated with sodium bicarbonate. If shock develops, it may be necessary to infuse plasma or whole blood. Administer oxygen continuously. If oliguria (less than 25 to 30 mL urine per hour) occurs, intravenous fluids must be slowed or stopped to avoid overloading the circulation. Such patients should be referred to a center capable of providing intensive care for critically ill patients. /Boric acid and Borates/For more Antidote and Emergency Treatment (Complete) data for TRIBUTYL BORATE (7 total), please visit the HSDB record page. |
| Landesrichtlinien für Trinkwasser | (CA) CALIFORNIA 1000 ug/L /Boron/(NH) NEW HAMPSHIRE 630 ug/L /Boron/(ME) MAINE 1,400 ug/L /Boron/(MN) MINNESOTA 1,000 ug/L /Boron/(WI) WISCONSIN 960 ug/L /Boron/ |
| Bundesrichtlinien für Trinkwasser | EPA 600 ug/L /Boron/ |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3272 |
| Zollcode | 29209090 |
| RTECS-Nr. | ED4900000 |
| R-Sätze (R) | 22-36/37/38-36/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 688-74-4(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Welding fluxes, intermediate in preparation of borohydrides, flame retardant for textiles (with boric acid).