2198-61-0 (己酸异戊酯,isoamyl caproate)

CAS号:
2198-61-0
中文名称:
己酸异戊酯
英文名称:
isoamyl caproate
分子式:
C11H22O2
分子量:
186.291183948517

己酸异戊酯(2198-61-0)名称与标识符

名称

中文别名:
己酸异戊酯;己酸 3-甲基丁酯;Isoamyl Hexanoate 己酸异戊酯;Isoamyl Hexanoate (contains 2-Methylbutyl Hexanoate) 己酸异戊酯;己酸-3-甲基丁酯;己酸异戊脂;己酸异戊酯 ,GCS;硼酸三正己酯;羊油酸异戊酯;己酸-3-甲基丁酯 (包含 2-甲基丁基己酸酯);正己酸异戊酯 (包含 2-甲基丁基己酸酯);羊油酸异戊酯 (包含 2-甲基丁基己酸酯);
英文别名:
isoamyl caproate;n-Caproic acid isoamyl ester;Isoamyl Hexanoate;Isoamyl Hexanoate (contains 2-Methylbutyl Hexanoate);3-methylbutyl hexanoate;Isopentyl hexanoate;Caproic acid isopentyl ester;hexanoic acid isopentyl ester;hexanoic acid,3-methylbutyl ester;Hexansaeure-isopentylester;IsoaMyl hexanoate;Isopentyl alcohol,hexanoate;Isopentyl caproate;Isopentyl-n-hexanoate;γ-Methylbutyl hexanoate;Hexanoic Acid Isoamyl Ester (contains 2-Methylbutyl Hexanoate);Hexanoic Acid Isopentyl Ester (contains 2-Methylbutyl Hexanoate);Isopentyl Hexanoate (contains 2-Methylbutyl Hexanoate);Hexanoic Acid Isoamyl Ester;Hexanoic acid 3-methylbutyl ester;

标识符

MDL:
MFCD00027280
InChIKey:
XVSZRAWFCDHCBP-UHFFFAOYSA-N
Inchi:
1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
SMILES:
CCCCCC(OCCC(C)C)=O

己酸异戊酯(2198-61-0)物化性质

实验特性

  • LogP : 3.15600
  • PSA : 26.30000
  • 折射率 : 1.42
  • 沸点 : 98°C/10mmHg(lit.)
  • 熔点 : -47°C (estimate)
  • 闪点 : 185 ºF
  • FEMA : 2075
  • 颜色与性状 : 无色液体呈苹果和菠萝似香味。
  • 溶解性 : 溶于乙醇、非挥发性油和矿物油,不溶于丙二醇、水和甘油。
  • 密度 : 0.86

计算特性

  • 精确分子量 : 186.16200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 8
  • 同位素质量 : 186.162
  • 重原子数量 : 13
  • 复杂度 : 130
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3A^2

己酸异戊酯(2198-61-0)国际标准相关数据

EINECS:
218-600-8

己酸异戊酯(2198-61-0)海关数据

海关编码:
29349990
海关数据:

中国海关编码:

2915900090

概述:

2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

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

Summary:

2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

己酸异戊酯(2198-61-0)推荐厂家 更多厂家(43)

公司名称手机号/电话联系人QQ微信询单
湖北方德新材料有限公司 18086096695邱经理 1462312301
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广东翁江化学试剂有限公司 13927875076
0751-2815987
罗雪云 3007432263
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JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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湖北云镁科技有限公司 18327059871
027-59206672
方经理 235010015
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湖北齐飞医药化工有限公司 18702762251
027-59322506
刘经理:18702762251 1438980033
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湖北摆渡化学有限公司 18871490324
027-59106051
彭星 1400878899
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湖北实顺生物科技有限公司 15107128801
027-59223025
郑雨晗 1400818899
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北京百灵威科技有限公司 18210857532翟先生 3650742139
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巨胜化学研究院 18064118002
027-59599240
陈盼 1400838822
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湖北鑫红利化工有限公司 15172537016
027-59503710
祝雨薇 1018283355
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己酸异戊酯(2198-61-0)相关文献

己酸异戊酯(2198-61-0)参考资料

Reaxys RN:
1760611
Beilstein:
2(3)727
PubChem CID:

己酸异戊酯(2198-61-0) MSDS

基础信息


Section I.Chemical Product and Company Identification
    Chemical Name n-Caproic Acid Isoamyl Ester
    Portland OR
    Synonym        Iso-amyl n-Caproate    
    CH3(CH2)4COO(CH2)2CH(CH3)2
    Chemical Formula
    CAS Number        2198-61-0    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    n-Caproic Acid Isoamyl Ester        2198-61-0        ---------- Not available.        Rabbit LD50 (dermal) >5000mg/kg    
    Rat LD50 (oral) >5000mg/kg

Section III. Hazards Identification
    Acute Health 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.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

Section IV.        First Aid Measures    
    Eye Contact
    Check for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
    eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
    15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with    
    running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
    may be used. 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.
    Flammability        Combustible.        Auto-Ignition    
    Flash Points        Flammable Limits    
    85°C (185°F).        Not available.    
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    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, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Continued on Next Page
    n-Caproic Acid Isoamyl Ester

Section VI.        Accidental Release Measures    
    Spill Cleanup        Combustible material.    
    Instructions        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the    
    spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
    for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        COMBUSTIBLE. Handle with caution and minimize exposure. Keep away from heat and sources of ignition. Mechanical    
    exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas, fumes, vapor or spray. Wear
    Information
    suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat
    symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. 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 station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a specialist BEFORE handling this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Colorless liquid.        Solubility    
    Not available.
    0.86
    Specific Gravity
    Molecular Weight        Partition Coefficient    
    186.29        Not available.    
    Boiling Point        Vapor Pressure    
    222°C (431.6°F)        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    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 strong oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        MO8389300    
    Routes of Exposure        Eye contact. Ingestion. Inhalation.    
    Toxicity Data        Rabbit LD50 (dermal) >5000mg/kg    
    Rat LD50 (oral) >5000mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.
    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
    n-Caproic Acid Isoamyl Ester

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

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
    Waste Disposal
    a 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 the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    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
    WHMIS CLASS B-3: Combustible liquid with a flash point between 35°C (100°F) and 93.3°C (200°F).
    (Canada)
    EINECS Number (EEC) 218-600-8
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A