基本信息
- 标准SMILES
CCCCOB(OCCCC)OCCCC- InChIKey
LGQXXHMEBUOXRP-UHFFFAOYSA-N- 分子式
- C12H27BO3
- 平均分子量
- 230.15 g/mol
- 单同位素质量
- 230.20532512
概述
Tributyl borate is a water-white liquid. (NTP, 1992)
名称与标识
- 首选名称
- Tributyl borate
- IUPAC
- tributyl borate
- 中文名
- 硼酸三丁酯
- 英文名
- Tributyl borate
- 分子式
- C12H27BO3
- 分子量
- 230.16
名称与别名
展开更多名称
数据库标识
- CAS
688-74-4- PubChem CID
- 12712
- DTXSID
DTXSID9026184- UNII
- X3UQ8D0UED
- EC Number
- 211-706-5
- Nikkaji
- J24.006K
性质
结构计算性质
- 极性表面积
- 27.7 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 12
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 110
实验与物化性质
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
物理化学性质
- 熔点
- -70 °C · -70 °C (lit.)
- 沸点
- 114 · 114-115 °C/12 mmHg (lit.) 230-235 °C (lit.)
- 密度
- 0.853 g/mL · 0.853 g/mL at 25 °C (lit.)
- 蒸气密度
- 7.95 · 7.95 (vs air)
- 蒸气压
- 3.79 hPa · 3.79hPa at 25℃
- 折射率
- 20 · n20/D 1.409(lit.)
- 闪点
- 200 °F · 200 °F
- 储存条件
- Inert atmosphere,Room Temperature
- 溶解度
- soluble in Methanol,Benzene,Ethanol
- 形态
- Liquid
- 颜色
- Clear colorless
- 比重
- 0.853 · 0.853
- 水溶解性
- decomposes
- 敏感性
- Moisture Sensitive
- 水解敏感性
- 7 · 7: reacts slowly with moisture/water
- BRN
- 1703865 · 1703865
- 稳定性
- 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
- 1 at · 1 at 25℃
- CAS 数据库
- 688 · 688-74-4(CAS DataBase Reference)
- NIST化学物质信息
- Boric acid, tributyl ester(688-74-4)
- EPA化学物质信息
- Tributyl borate (688-74-4)
化学性质
无色液体。熔点-70℃,沸点232.4℃,105.2℃(1.2kPa),相对密度0.85(28/11℃),折光率1.4071(25℃),闪点93℃。易溶于甲醇、酯类、乙酰丙酮和四氯化碳,溶于乙醇。遇水迅速反应即得。
安全与法规
GHS分类
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.
危害信息
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.
安全与防护
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/
毒理信息
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.
法规信息
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/
安全数据
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- RTECS号
- ED4900000
- 包装类别
- III
- 危险等级
- 3
- 存储类别
- 10 - Combustible liquids
- 安全说明
- 26-36/37/39-37/39
- 海关编码
- 29209090
- 危险品标志
- Xn,Xi
- 危险性类别
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 危险类别码
- 22-36/37/38-36/38
- 毒害物质数据
- 688-74-4(Hazardous Substances Data)
- 危险品运输编号
- 3272
化学与工业
用途与制造
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
应用领域
概述硼酸三丁酯为无色澄清液体,遇水迅速分解。其可由丁醇与H3BO3作用而得。
应用硼酸三丁酯是制备硼氢化合物的中间体,可用于合成半导体硼扩散源、防火剂粘合剂和无水系统干燥剂,此外还可作聚合物添加剂、汽油添加剂、灭菌剂、阻燃剂、汽车制动液和特种表面活性剂使用,应用范围十分广泛。
用途用作硼氢化合物中间体
用途硼酸三丁酯是制备硼氢化合物的中间体,用于合成橡胶添加剂、润滑油添加剂、半导体硼扩散剂、防火剂、粘合剂、无水系统脱水干燥剂等。
用途用于制备半导体元件
制备方法
生产方法由正丁醇与硼酸反应而得。
上下游产品信息
上游原料
下游产品
试剂价格
- A19322 · 500ml
- 硼酸三正丁酯, 98% Tri-n-butyl borate, 98% — 963元
- 42866 · 100ml
- 硼酸三丁酯Tributyl borate, 98%, AcroSeal™, Thermo Scientific Chemicals — 438元
供应商50 家
相关反应
关联笔记
加载中…