烟酸己酯

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 表征图谱

烟酸己酯 基本信息

中文名称:
烟酸己酯 
中文别名:
烟酸己酯;
烟酸正己酯;
烟酸正已酯 
英文名称:
3-Pyridinecarboxylicacid, hexyl ester
英文别名:
hexyl pyridine-3-carboxylate;
Nicotinic Acid Hexyl Ester;
3-Hexyloxycarbonylpyridine;
Nicotinic acid,hexyl ester;
N-hexyl nicotinoate;
Hexyl nicotinoate;
Nicotinsaeure-hexylester;
Hexyl nicotinate;
Nicotherm;
Auxiliary substrate,1a;
n-Hexyl nicotinate;
3-Pyridinecarboxylic acid,hexyl ester 
CAS No.:
23597-82-2
分 子 式:
C12H17NO2
分 子 量:
207.27
精确分子量:
207.12600
PSA:
39.19000
EINECS:
245-767-4
InChI:
InChI=1/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

烟酸己酯 物化性质

密度:
1,02 g/cm3
沸点:
140°C
闪点:
140ºC
折射率:
1.495
蒸汽压:
0.000181mmHg at 25°C
其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):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,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):未确定

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,20ºC):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:未确定

烟酸己酯 安全信息

海关代码:
2933399090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

烟酸己酯 MSDS


Section 1. Chemical Product and Company Identification
    Hexyl Nicotinate
    Common Name/
    Trade Name
    Hexyl Nicotinate

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    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.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    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.
    Not available.
    Serious Ingestion

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    CLOSED CUP: >109°C (228.2°F).
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    Not available.
    Special Remarks on
    Fire Hazards
    Not available.
    Special Remarks on
    Explosion Hazards

Section 6. Accidental Release Measures
    Absorb with an inert material and put the spilled material in an appropriate waste disposal.
    Small Spill
    Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by
    Large Spill
    spreading water on the contaminated surface and allow to evacuate through the sanitary system.
    Hexyl Nicotinate

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

Section 8. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
    Engineering Controls
    respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the work-station
    location.
    Personal Protection        Safety glasses. Lab coat. Gloves (impervious). Respiratory protection is not necessary for normal handling. Good    
    room ventilation or use of local exhaust (fume hood) is sufficient. Use a vapor respirator under conditions where
    exposure to the substance is apparent (e.g. generation of high concentrations of mist or vapor, inadequate
    ventilation, development of respiratory tract irritation), and engineering controls are not feasible. Be sure to use an
    approved/certified respirator or equivalent.
    Personal Protection in Case Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist
    of a Large Spill        BEFORE handling this product.    
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Liquid.        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    207.3 g/mole
    Molecular Weight
    Not available.
    Color
    Not available.
    pH (1% soln/water)
    147°C (296.6°F)
    Boiling Point
    Not available.
    Melting Point
    Not available.
    Critical Temperature
    1.02 (Water = 1)
    Specific Gravity
    Not available.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    Not available.
    Dispersion Properties
    Not available.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials
    Incompatibility with various Reactive with oxidizing agents.
    substances
    Hexyl Nicotinate
    Not available.
    Corrosivity
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Absorbed through skin. Eye contact.
    Routes of Entry
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Other Toxic Effects on
    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:    
    Skin: May cause skin irritation.
    Toxic Effects on Humans
    Eyes: May cause eye irritation.
    Inhalation: Inhalation of mist or vapor may cause respiratory tract irritation.
    Ingestion: Expected to be a low hazard.

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

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

Section 14. Transport Information
    Not a DOT controlled material (United States).
    DO T Cl assi fi cati on
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    Hexyl Nicotinate
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Hexyl Nicotinate
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    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        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    245-767-4).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    China: Not listed on National Inventory.
    Japan: Not listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Not listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    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
    B
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves (impervious).
    Hexyl Nicotinate
    Lab coat.
    Not applicable.


SECTION 16 - ADDITIONAL INFORMATION
N/A

烟酸己酯 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

烟酸己酯 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:59.28

2   摩尔体积m3/mol203.0

3   等张比容(90.2K):505.1

4   表面张力dyne/cm38.2

5   极化率10-24cm323.50

计算化学数据

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:7

5.互变异构体数量:无

6.拓扑分子极性表面积39.2

7.重原子数量:15

8.表面电荷:0

9.复杂度:183

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

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