621-78-3

• 常用中文名：三正硼酸戊酯
• 常用英文名：Boric acid (H3BO3),tripentyl ester
• CAS号：621-78-3
• 分子式：C₁₅H₃₃BO₃
• 分子量：272.23200
• 发布时间：2018-03-22 08:00:00
• 更新时间：2024-01-13 22:47:02

• 用作树脂的溶剂，能增加纤维素涂膜对金属的黏结能力。还用作增塑剂、办面活性剂、杀菌剂等的溶剂。

名称

• 中文名: 三正硼酸戊酯
• 英文名: tripentyl borate
• 中文别名: 三正戊基硼酸
• 英文别名: Borsaeure-tripentylester; n-pentyl borate; Boric acid,tri-n-amyl ester; Tri-n-amyl borate; boron (O-n-C5H11)3; Pentyl borate,(C5H11O)3B; Tri-n-pentyl borate; Tri-n-amyl-borat; Boric acid,tripentyl ester; Triamyl borate; EINECS 210-706-2; Tripentylborat; MFCD00027261; boric acid tripenetyl ester; (tri-n-Pentoxy)borane; Tripentyl borate ((C5H11O)3B); Boric acid (H3BO3),tripentyl ester

物化性质

• 密度: 0.858g/cm3
• 沸点: 63ºC 0mm
• 熔点: 180ºC (dec.)
• 分子式: C₁₅H₃₃BO₃
• 分子量: 272.23200
• 闪点: 83ºC
• 精确质量: 272.25200
• PSA: 27.69000
• LogP: 4.59170
• 折射率: 1.419
• 储存条件:

  硼酸三戊酯能燃烧，注意火源。吸湿，遇水分解，应防潮密封贮存。

• 分子结构:

  1、 摩尔折射率：80.20

  2、 摩尔体积（cm³/mol）：317.1

  3、 等张比容（90.2K）：724.8

  4、 表面张力（dyne/cm）：27.2

  5、 极化率（10^-24cm³）：31.79

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:15

  5.互变异构体数量:无

  6.拓扑分子极性表面积27.7

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:139

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无色液体，易吸湿

  2. 密度（g/mL,20/4℃）：0.8577

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：180

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）： 83

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于苯和二噁烷，能与大多数硝酸纤维素漆和稀释剂混合。

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: TRIPENTYL BORATE REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 621-78-3 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Eye irritation (Category 2), H319 Chronic aquatic toxicity (Category 4), H413 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xi IrritantR36 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordWarning Hazard statement(s) H319Causes serious eye irritation. H413May cause long lasting harmful effects to aquatic life. Precautionary statement(s) P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Formula: C15H33BO3 Molecular Weight: 272,24 g/mol CAS-No.: 621-78-3 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration TRIPENTYL BORATE Eye Irrit. 2; Aquatic Chronic 4; - H319, H413 For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, Borane/boron oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Avoid breathing dust. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 5,873 octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation Eyes - rabbit Result: Moderate eye irritation Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: ED5650000 To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Full text of H-Statements referred to under sections 2 and 3. Aquatic ChronicChronic aquatic toxicity Eye Irrit.Eye irritation H319Causes serious eye irritation. H413May cause long lasting harmful effects to aquatic life. Full text of R-phrases referred to under sections 2 and 3 R36 Irritating to eyes. Further information Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 1、急性毒性：小鼠（口服）LD50： 1,240 mg/kg 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 CHEMICAL IDENTIFICATION RTECS NUMBER : ED5650000 CHEMICAL NAME : Boric acid, tri-n-pentyl ester CAS REGISTRY NUMBER : 621-78-3 BEILSTEIN REFERENCE NO. : 1706686 LAST UPDATED : 199709 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C15-H33-B-O3 MOLECULAR WEIGHT : 272.29 WISWESSER LINE NOTATION : 5OBO5&O5 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S26;S36/S37/S39
• 危险品运输编码: UN 2810
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2920909090

合成路线

71-41-0 ~% 621-78-3

文献：Scattergood; Miller; Gammon Journal of the American Chemical Society, 1945 , vol. 67, p. 2150 Full Text View citing articles Show Details Johnson; Tompkins Org.Synth.Coll.Vol.II., <1943>107

15606-93-6 109-63-7 ~0% 621-78-3 7784-35-2

文献：Fofanova, E. L.; Gavrilov, V. I.; Garieva, F. R.; Musin, R. Z. Journal of General Chemistry USSR (English Translation), 1992 , vol. 62, p. 922 - 924 Zhurnal Obshchei Khimii, 1992 , vol. 62, p. 1127 - 1129

制备

主要杂质是水解产生的硼酸和醇。用减压蒸馏法精制，收集146～148ºC馏分。

海关

海关编码	2920909090
中文概述	2920909090 其他无机酸酯（不包括卤化氢的酯）（包括其盐及它们的卤化，磺化，硝化和亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%