当归酸异丁酯

当归酸异丁酯 基本信息
CAS号 7779-81-9 分子式 C9H16O2
分子量 156.22200 精确质量  156.11500
PSA  26.30000 LogP  2.15180

基本信息 展开↓

CAS号:
7779-81-9
3D弹球模型:
立即前往扯扯看
分子式:
C9H16O2
分子量:
156.22200
中文名称:
当归酸异丁酯
英文名称:
2-methyl-cis-crotonic acid isobutyl ester
中文别名:
当归酸异丁酯;
(Z)-2-甲基-2-丁酸-2-甲丙酯
英文别名:
2-methyl-cis-crotonic acid isobutyl ester;
Isobutyl Angelate;
ANGELIC ACID ISOBUTYL ESTER;
ISOBUTYL (2Z)-2-METHYLBUT-2-ENOATE;
ISO-BUTYL ANGELATE
精确分子量/精确质量:
156.11500
极性分子表面积/PSA:
26.30000
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:
MFCD00063646
EINECS:
231-941-7
PubChem:
24900894
InChI:
The Key: XDEGQMQKHFPBEW-YVMONPNESA-N

物化性质展开↓

闪点:
140 °F
其它信息:

1.      性状:未确定

2.      密度(g/mL 25ºC):0.877

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):176-177

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):1.434

8.      闪点(ºC,)140 °F

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,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(25℃):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(mg/mL)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:
26-36/37/39
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。
:

化学图谱

  1. (Z)-2-甲基-2-丁酸-2-甲丙酯红外图谱(IR1)

  2. (Z)-2-甲基-2-丁酸-2-甲丙酯质谱(MS)

上一页 1/4 下一页

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Angelic Acid Isobutyl Ester
    Portland OR
    Synonym        Iso-butyl Angelate    
    Chemical Formula        CH3CH:C(CH3)COOCH2CH(CH3)2    
    CAS Number        7779-81-9    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Angelic Acid Isobutyl Ester        7779-81-9        Min. 98.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    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    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 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.
    Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband. If
    Inhalation
    breathing is difficult, administer oxygen. If the victim is not breathing, perform artificial respiration. WARNING: It may be
    dangerous to the person providing aid to give mouth-to-mouth resuscitation when the inhaled material is toxic, infectious
    or corrosive. 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.
    Auto-Ignition
    Flammability        Combustible.    
    Flammable Limits
    Flash Points        Not available.    
    59°C (138.2°F).
    Combustion Products        These products are toxic carbon oxides (CO, CO 2).    
    Fire Hazards
    Slightly flammable to flammable in presence of open flames and sparks, of shocks, of heat.
    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.
    Continued on Next Page
    Angelic Acid Isobutyl Ester
    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.    

Section VI.        Accidental Release Measures    
    Spill Cleanup        Combustible material. Irritating material.    
    Instructions        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY    
    earth, sand or other non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use
    water spray curtain to divert vapor drift. Prevent entry into sewers, basements or confined areas; dike if needed.
    Eliminate all sources of ignition. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        COMBUSTIBLE. IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in    
    use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not
    Information
    breathe gas, fumes, vapor or spray. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested,
    seek medical advice immediately and show the container or the label. Treat symptomatically and supportively. Avoid
    contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents, alkalis (bases).

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. 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
    Physical state @ 20°C        Colorless liquid.        Solubility    
    Not available.
    0.877
    Specific Gravity
    Molecular Weight        156.22        Partition Coefficient    
    Not available.
    Boiling Point        176 to 177°C        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, alkalis (bases).

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Routes of Exposure        Eye contact. Inhalation. Ingestion. Skin contact.    
    Not available.
    Toxicity Data
    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        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    Angelic Acid Isobutyl 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 this substance.

Section XIV. Transport Information
    DOT Classification        DOT CLASS 3: Flammable liquid.    
    PIN Number
    Proper Shipping Name
    Esters, n.o.s.
    Packing Group (PG)        III    
    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 37.8°C (100°F) and 93.3°C (200°F).
    WHMIS CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    (Canada)
    EINECS Number (EEC) 231-941-7
    EEC Risk Statements
    R36/37/38- Irritating to eyes, respiratory system and skin.


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:45.37

2、   摩尔体积m3/mol174.3

3、   等张比容(90.2K):395.7

4、   表面张力dyne/cm26.5

5、   极化率10-24cm317.98

上下游相关产品

下游产品

更多
  • 127126-06-1

    (2S,3R)-3-羟基-L-异

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便