十八烷酸

十八烷酸 基本信息
CAS号 506-17-2 分子式 C18H34O2
分子量 282.46100 精确质量  282.25600
PSA  37.30000 LogP  6.10850

基本信息 展开↓

CAS号:
506-17-2
3D弹球模型:
立即前往扯扯看
分子式:
C18H34O2
分子量:
282.46100
中文名称:
十八烷酸
英文名称:
cis-vaccenic acid
中文别名:
十八烷酸;
顺式十八碳烯酸;
顺-11-十八烯酸
英文别名:
cis-vaccenic acid;
asclepic acid;
cis-11-Octadecenoic acid;
cis-Vaccenic acid;
11Z-octadecenoic acid
精确分子量/精确质量:
282.25600
极性分子表面积/PSA:
37.30000
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:
MFCD00063187
PubChem:
24900694
BRN:
1726565
InChI:
InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-

生产制备方法及用途展开↓

合成制备方法


暂无

用途


暂无

物化性质展开↓

密度:
0.899g/cm3
熔点:
14-15ºC(lit.)
沸点:
150ºC0.03 mm Hg(lit.)
闪点:
295ºC
折射率:
n20/D 1.459(lit.)
存储条件/存储方法:

-20°C密封保存,放置在通风,干燥的环境中

稳定性相关:

按规格使用和贮存,不会发生分解,避免与氧化物接触

其它信息:

1.       性状:未确定

2.       相对密度(25℃,4℃):0.839080

3.       相对密度(20℃,4℃):0.846970

4.       熔点(ºC):69.6

5.       沸点(ºC,常压):376

6.       常温折射率(n20):1.433770

7.       折射率:1.459

8.       闪点(ºC):230

9.      常温折射率(n25):1.429980

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:未确定

安全信息展开↓

海关代码:
2916190090
危险类别码:
36/37/38
安全说明:
26-36
危险标志:
Xi

合成路线查看所有的合成路线

  • 19220-40-7

    11-octadecynoic acid

  • ~90%

  • 506-17-2

    十八烷酸

  • 111-71-7

    庚醛

  • +

  • 70794-53-5

    [1-(ethoxycarbonyl)decyl]triphenylphosphonium iodide

  • 506-17-2

    十八烷酸

  • 26040-67-5

    26040-67-5

  • 506-17-2

    十八烷酸

毒理性展开↓

毒理学数据:

暂无

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    cis-Vaccenic Acid, synthetic
    Common Name/
    Trade Name
    cis-Vaccenic Acid, synthetic

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: 230°C (446°F).
    Flash Points
    Not available.
    Flammable Limits
    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
    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.
    cis-Vaccenic Acid, synthetic

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, alkalis.
    Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 0°C (32°F).
    Storage
    Freeze. Sensitive to light. Store in light-resistant containers.

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).    
    Personal Protection in Case Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist
    BEFORE handling this product.
    of a Large Spill
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Liquid.        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    282.47 g/mole
    Molecular Weight
    Not available.
    Color
    Not available.
    pH (1% soln/water)
    158°C (316.4°F) - 163 C. at 0.4 mm Hg
    Boiling Point
    14°C (57.2°F) -15 C.
    Melting Point
    Not available.
    Critical Temperature
    0.88 - 0.89 (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, alkalis.
    substances
    Not available.
    Corrosivity
    cis-Vaccenic Acid, synthetic
    Sensitive to light.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Absorbed through skin. Eye contact. Ingestion.
    Routes of Entry
    LD50: Not available.
    Toxicity to Animals
    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
    Not available.
    Special Remarks on
    Toxicity to Animals
    Not available.
    Special Remarks on
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: Can cause mild to moderate skin irritation.    
    Eyes: Can cause mild 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
    cis-Vaccenic Acid, synthetic
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    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 not on the European Inventory of Existing Commercial Chemical Substances.    
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List (NDSL).
    China: Not listed on National Inventory.
    Japan: 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
    1
    Specific hazard
    Personal Protection
    B
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves (impervious).
    cis-Vaccenic Acid, synthetic
    Lab coat.
    Not applicable.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2916190090

概述:
2916190090 其他不饱和无环一元羧酸(包括其酸酐、酰卤化物,过氧化物和过氧酸以及它们的衍生物)。监管条件:AB(入境货物通关单,出境货物通关单)。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, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:87.06

2、   摩尔体积(cm3/mol):313.8

3、   等张比容(90.2K):757.2

4、   表面张力(dyne/cm):33.8

5、   极化率(10-24cm3):34.51

计算化学数据


1、   疏水参数计算参考值(XlogP):6.5

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:15

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):37.3

7、   重原子数量:20

8、   表面电荷:0

9、   复杂度:234

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:1

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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