3-己基二氢-2(3H)-呋喃酮

  • 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

3-己基二氢-2(3H)-呋喃酮 基本信息

中文名称:
3-己基二氢-2(3H)-呋喃酮 
中文别名:
3-己基二氢-2(3H)-呋喃酮;
Alpha-己基-Gamma-丁内酯 
英文名称:
2(3H)-Furanone,3-hexyldihydro-
英文别名:
3-hexyloxolan-2-one;
3-Hexyl-2-oxo-tetrahydrofuran;
2(3H)-Furanone,3-hexyldihydro;
3-hexyl-dihydro-furan-2-one;
alpha-Hexyl-gaMMa-butyrolactone;
3-Hexyldihydro-2(3H)-furanone 
CAS No.:
18436-37-8
分 子 式:
C10H18O2
分 子 量:
170.25
精确分子量:
170.13100
PSA:
26.30000
EINECS:
242-316-3
InChI:
The Key: IBVDLVUXSDSVQF-UHFFFAOYSA-N
风险术语:
R20/21/22R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

3-己基二氢-2(3H)-呋喃酮 物化性质

密度:
0.946 g/cm3
沸点:
266.7ºC at 760 mmHg
闪点:
105.8ºC
折射率:
1.446
蒸汽压:
0.00852mmHg at 25°C
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):0.96

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点ºC,常压):不确定

6.       沸点(ºC, 16mmHg):146

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

3-己基二氢-2(3H)-呋喃酮 安全信息

海关代码:
2932209090
危险类别码:
R20/21/22
安全说明:
26-36/37/39
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。
:

3-己基二氢-2(3H)-呋喃酮 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name alpha-Hexyl-gamma-butyrolactone
    Portland OR
    Synonym        2(3H)-Furanone, 3-hexyldihydro-(8CI, 9CI)    
    Chemical Formula        C10H18O2    
    18436-37-8
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    alpha-Hexyl-gamma-butyrolactone        18436-37-8 Not available. Not available.        Not available.    

Section III. Hazards Identification
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Health Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum of 15
    Eye Contact
    minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with running    
    water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with
    an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before
    reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
    Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was
    ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible, show the
    chemical label. Treat symptomatically and supportively.

Section V.        Fire and Explosion Data    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO2, water spray or foam.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Continued on Next Page
    alpha-Hexyl-gamma-butyrolactone

Section VI.        Accidental Release Measures    
    Spill Cleanup        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Absorb with    
    an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing any
    Instructions
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container and
    Handling and Storage
    store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas, fumes, vapor or spray. In case of insufficient
    Information
    ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible.
    Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
    product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Liquid.        Solubility    
    Physical state @ 20°C        Not available.    
    0.96
    Specific Gravity
    170.25
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye contact. Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.
    Continued on Next Page
    alpha-Hexyl-gamma-butyrolactone

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    PIN Number
    Proper Shipping Name        Not applicable.    
    Not applicable.
    Packing Group (PG)
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        Not available.    
    (Canada)
    EINECS Number (EEC) 242-316-3
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-己基二氢-2(3H)-呋喃酮 海关数据

中国海关编码:2932209090

概述:
2932209090. 其他内酯. 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
摘要/Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-己基二氢-2(3H)-呋喃酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:48.04

2、   摩尔体积(m3/mol):179.8

3、   等张比容(90.2K):424.4

4、   表面张力(dyne/cm):31.0

5、   极化率10-24cm3):19.04

计算化学数据

1.疏水参数计算参考值(XlogP):3.3

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:5

5.互变异构体数量:2

6.拓扑分子极性表面积26.3

7.重原子数量:12

8.表面电荷:0

9.复杂度:143

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:1

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

3-己基二氢-2(3H)-呋喃酮 上游产品

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产品介绍:
产品名称:3-己基二氢-2(3H)-呋喃酮 Cas号:18436-37-8 纯度:98%-99% 包装信息:2kg 价格:洽谈
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