基本情報
- 標準SMILES
CCCCOB(OCCCC)OCCCC- InChIKey
LGQXXHMEBUOXRP-UHFFFAOYSA-N- 分子式
- C12H27BO3
- 平均分子量
- 230.15 g/mol
- 単同位体質量
- 230.20532512
概要
Tributyl borate is a water-white liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Tributyl borate
- IUPAC
- tributyl borate
- 現地名
- ほう酸トリブチル
- 英語名
- Tributyl borate
- 分子式
- C12H27BO3
- 分子量
- 230.16
名称と別名
名称をさらに表示
データベース識別子
- CAS
688-74-4- PubChem CID
- 12712
- DTXSID
DTXSID9026184- UNII
- X3UQ8D0UED
- EC Number
- 211-706-5
- Nikkaji
- J24.006K
物性
構造計算による物性
- 極性表面積
- 27.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 12
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
Density
0.8567 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8567 g/cu cm at 20 °C
0.847 @ 20°C
Color/Form
Water-white liquid
Colorless, mobile, moisture sensitive liquid
Solubility
Decomposes (NTP, 1992)
Soluble in ethanol, benzene; very soluble in ethyl ether, methanol
Miscible with common organic liquids
Boiling Point
446 to 448 °F at 760 mmHg (NTP, 1992)
234 °C
230 °C @760 [mm Hg]
Melting Point
less than -94 °F (NTP, 1992)
Freezing point below -70 °C
Vapor Density
7.95 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
7.94 (Air = 1)
Vapor Pressure
0.52 [mmHg]
0.526 mm Hg at 25 °C
物理化学的性質
- 融点
- -70 °C · -70 °C (lit.)
- 沸点
- 114 · 114-115 °C/12 mmHg (lit.) 230-235 °C (lit.)
- 比重(密度)
- 0.853 g/mL · 0.853 g/mL at 25 °C (lit.)
- 蒸気密度
- 7.95 · 7.95 (vs air)
- 蒸気圧
- 3.79 hPa · 3.79hPa at 25℃
- 屈折率
- 20 · n20/D 1.409(lit.)
- 闪点
- 200 °F · 200 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- soluble in Methanol,Benzene,Ethanol
- 外見
- 液体
- 比重
- 0.853 · 0.853
- 色
- 無色透明
- 水溶解度
- 分解する
- BRN
- 1703865 · 1703865
- 安定性
- 安定ですが、水と素早く反応します。酸化剤と激しく反応する。強酸とは相容れない。
- 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
- 1 at · 1 at 25℃
- CAS データベース
- 688 · 688-74-4(CAS DataBase Reference)
- NISTの化学物質情報
- Boric acid, tributyl ester(688-74-4)
- EPAの化学物質情報
- Tributyl borate (688-74-4)
化学的性質
化学的特性Water-white liquid. Distillation range, 85% distills between 135C and 140C (40 mm Hg). Hydrolyzes rapidly; miscible with common organic liquids. Combustible.
安全と法規制
GHS分類
GHS Classification
Danger
H302 (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.
危険有害性情報
Regulatory Information
Chemical: Boric acid (H3BO3), tributyl ester
Boric 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/23096
Boric 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.
Hazards Summary
An eye and respiratory tract irritant; Oral LD50 (mouse) =2150 mg/kg; Decomposes in the presence of water to boric acid and n-butanol; [HSDB] Decomposed quickly by water; [CAMEO] Hydrolyzed by water; An irritant; [MSDSonline] See Boric acid. See Triethyl borate.
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).
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.
安全と保護具
First Aid
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.
Disposal Methods
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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and 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.
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/
毒性情報
Environmental Fate
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).
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).
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).
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 borate; however, 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 borate; however, 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.
法規制情報
State Drinking Water Guidelines
(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/
安全データ
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ED4900000
- ridadr
- 3272
- PRTR法
- 第一種指定化学物質
- hs_code
- 29209090
- risk_code
- 22-36/37/38-36/38
- 化審法
- (2)-2101
- 消防法
- 危-4-3-III
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 688-74-4(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used in welding fluxes, flame retardants for textiles, and curing systems for metal coatings; [HSDB]
Welding [Category: Weld]
Welding fluxes, intermediate in preparation of borohydrides, flame retardant for textiles (with boric acid).
Provides a fast curing system suitable for metal coating.
Methods of Manufacturing
Reaction of n-butyl alcohol with boron trichloride
From butyl alcohol and boric acid.
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Boric acid (H3BO3), tributyl ester: ACTIVE
応用分野
使用Welding fluxes, intermediate in preparation of borohydrides, flame retardant for textiles (with boric acid).
調製方法
純化方法The chief impurities are n-butyl alcohol and boric acid (from hydrolysis). It must be handled in a dry-box and can readily be purified by fractional distillation, under reduced pressure. [O’Brien Aust J Chem 10 91 1957, Gerrard & Lappert J Chem Soc 2545, 2547 1951, Beilstein 1 IV 1544.]
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