cas号： 101342-76-1 ，名称：二戊二酸二(1-丁基戊基)癸烷-1,10-二酯的性质/作用/用途-化学加百科

二戊二酸二(1-丁基戊基)癸烷-1,10-二酯基本信息
CAS号	101342-76-1	分子式	C38H70O8
分子量	654.95800	精确质量	654.50700
PSA	105.20000	LogP	10.11860

基本信息展开↓

CAS号：: 101342-76-1
分子式：: C38H70O8
分子量：: 654.95800
中文名称：: 二戊二酸二(1-丁基戊基)癸烷-1,10-二酯
英文名称：: 5-[11-butyl-10-(4-carboxylatobutanoyloxy)-10-nonan-5-ylpentadecoxy]-5-oxopentanoate
中文别名：: 二戊二酸二(1-丁基戊基)癸烷-1,10-二酯;
5,30-二丁基-6,12,23,29-四氧杂三十四烷-7,11,24,28-丁烷
英文别名：: 5-[11-butyl-10-(4-carboxylatobutanoyloxy)-10-nonan-5-ylpentadecoxy]-5-oxopentanoate;
5,30-DIBUTYL-6,12,23,29-TETRAOXATETRATRIACONTANE-7,11,24,28-TETRANE;
BIS(1-BUTYLPENTYL) DECANE-1,10-DIYL DIGLUTARATE;
ETH 469;
DECANE-1,10-DIOL BIS(GLUTARIC ACID 1-*BU TYLPENTYL E;
ETH 469, 5,30-Dibutyl-6,12,23,29-tetraoxatetratriacontane-7,11,24,28-tetrane;
Bis(1-butylpentyl)decane-1,10-diyl diglutarate,Selectophore
精确分子量/精确质量：: 654.50700
极性分子表面积/PSA：: 105.20000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：: MFCD00043109
PubChem：: 24858460

物化性质展开↓

密度：: 0.976g/cm3
沸点：: 653.6ºC at 760 mmHg
折射率：: 1.464
蒸汽压：: 5.82E-17mmHg at 25°C
存储条件/存储方法：: 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应，避免强氧化物
其它信息：: 1.       性状：液体

2.       密度（g/mL,25ºC）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC）：未确定

6.       沸点（ºC，1mmHg）：未确定

7.       折射率：未确定

8.       闪点（°F）：未确定

9.       比旋光度（ºF）：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,110ºC）：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：未确定

安全信息展开↓

WGK_Germany：: 3
德国有关水污染物质的分类清单

MSDS 展开↓

Section 1. Chemical Product and Company Identification
    Bis(1-butylpentyl)decane-1,10-diyl
    Common Name/
    Trade Name
    Diglutarate
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Bis(1-butylpentyl)decane-1,10-diyl
    Diglutarate

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
    least 15 minutes. Get medical attention if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Serious Skin Contact        Not available.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
    medical attention.
    Serious Inhalation        Not available.
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.
    Flammable Limits        Not available.
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    Special Remarks on        Not available.
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal.
    Large Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by
    spreading water on the contaminated surface and allow to evacuate through the sanitary system.
    Bis(1-butylpentyl)decane-1,10-diyl
    Diglutarate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    breathe gas/fumes/ vapor/spray.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
    respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the
    work-station location.
    Personal Protection        Safety glasses. Lab coat.
    Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    a Large Spill        specialist BEFORE handling this product.
    Exposure Limits        Not available.

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid. (Viscous liquid.)        Odor        Not available.
    Not available.
    Taste
    Molecular Weight        654.97 g/mole
    Clear. Slightly brown-yellow
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.
    Not available.
    Melting Point
    Critical Temperature        Not available.
    Specific Gravity        Not available.
    Not available.
    Vapor Pressure
    Vapor Density        Not available.
    Not available.
    Volatility
    Odor Threshold        Not available.
    Water/Oil Dist. Coeff.        Not available.
    Ionicity (in Water)        Not available.
    Dispersion Properties        Not available.
    Solubility        Not available.

Section 10. Stability and Reactivity Data
    Stability        The product is stable.
    Instability Temperature        Not available.
    Conditions of Instability        Excess heat
    Incompatibility with various        Not available.
    substances
    Corrosivity        Not available.
    Bis(1-butylpentyl)decane-1,10-diyl
    Diglutarate
    Special Remarks on        Not available.
    Reactivity
    Special Remarks on        Not available.
    Corrosivity
    Polymerization        Will not occur.

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Eye contact.
    Toxicity to Animals        LD50: Not available.
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Humans
    Special Remarks on        Not available.
    Toxicity to Animals
    Special Remarks on        Not available.
    Chronic Effects on Humans
    Special Remarks on other
    Acute Potential Health Effects:
    Toxic Effects on Humans
    Skin: May cause skin irritation.
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation. Expected to be a low hazard for usual industrial handling.
    Ingestion: Expected to be a low hazard for usual industrial handling.

Section 12. Ecological Information
    Ecotoxicity        Not available.
    BOD5 and COD        Not available.
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.
    of Biodegradation
    Special Remarks on the        Not available.
    Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).
    Identification        Not applicable.
    Special Provisions for        Not applicable.
    Transport
    Bis(1-butylpentyl)decane-1,10-diyl
    Diglutarate
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    Federal and State        No products were found.
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found
    Proposition 65        to cause cancer which would require a warning under the statute: No products were found.
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        Not available.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according Not applicable.
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    a
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Not applicable.
    Lab coat.
    Not applicable.
    Safety glasses.
    Bis(1-butylpentyl)decane-1,10-diyl

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、摩尔折射率：185.11

2、摩尔体积（m³/mol）：670.4

3、等张比容（90.2K）：1637.6

4、表面张力（dyne/cm）：35.5

5、介电常数：无可用的

6、偶极距（10^-24cm³）：无可用的

7、极化率：73.38

计算化学数据

1.疏水参数计算参考值（XlogP）:12.8

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:33

5.互变异构体数量:无

6.拓扑分子极性表面积133

7.重原子数量:46

8.表面电荷:-2

9.复杂度:749

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

二戊二酸二(1-丁基戊基)癸烷-1,10-二酯