621-78-3

621-78-3结构式
621-78-3结构式
  • 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。


化源商城直购

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
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。


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

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

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621-78-3结构式

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

~0%

621-78-3结构式

621-78-3

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

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%