乙酸薄荷酯

乙酸薄荷酯 基本信息
CAS号 89-48-5 分子式 C12H22O2
分子量 198.30200 精确质量  198.16200
PSA  26.30000 LogP  3.01030

等价的CAS号:

89-48-5,2230-87-7,2552-91-2,2623-23-6,5157-89-1,16409-45-3,20777-36-0,20777-45-1,29066-34-0,42241-42-9,50539-17-8,55058-46-3,79199-84-1,146502-80-9

基本信息 展开↓

CAS号:
89-48-5
3D弹球模型:
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分子式:
C12H22O2
分子量:
198.30200
中文名称:
乙酸薄荷酯
英文名称:
Menthyl acetate
中文别名:
乙酸薄荷酯;
1-异丙基-4-甲基环己基-2-醇乙酸酯
英文别名:
Menthyl acetate;
1-allyl-9,9,9a-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
精确分子量/精确质量:
198.16200
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:
MFCD00062975
EINECS:
201-911-8
PubChem:
24866452
InChI:
The Key: XHXUANMFYXWVNG-ADEWGFFLSA-N

生产制备方法及用途展开↓

合成制备方法


1.由椒样薄荷油中单离而得。2.在无水醋酸钠存在下,由薄荷脑和醋酐反应后经水洗、蒸馏而得

用途


食用香料。主要用以配制薄荷、水果和浆果类香精

物化性质展开↓

密度:
0.922
熔点:
37 - 38ºC
沸点:
228-229ºC
闪点:
198 °F
折射率:
1.447
存储条件/存储方法:

常温

阴凉通风处

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:无色透明液体, 具有带玫瑰香的薄荷油味。

2.       密度(g/mL,25):0.922

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):227

6.       沸点(ºC,1.33kPa):109

7.       折射率:1.4468

8.       闪点(ºF):198

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(mmHg,20ºC):未确定

12.    饱和蒸气压(kPa,20 ºC):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(MPa):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:微溶于水,与醇、醚混溶

安全信息展开↓

海关代码:
2915390090

合成路线查看所有的合成路线

  • 108-22-5

    乙酸异丙烯酯

  • +

  • 89-78-1

    薄荷脑

  • ~98%

  • 89-48-5

    乙酸薄荷酯

  • 72020-06-5

    tetrahydro-2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclo-hexyl]oxy]-2H-pyran

  • +

  • 108-24-7

    乙酸酐

  • ~96%

  • 89-48-5

    乙酸薄荷酯

  • 108-05-4

    醋酸乙烯酯

  • +

  • 89-78-1

    薄荷脑

  • ~96%

  • 89-48-5

    乙酸薄荷酯

毒理性展开↓

生态数据:

该物质对环境可能有危害,通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Menthyl acetate    
    CAS-No.        : 89-48-5    
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Chronic aquatic toxicity (Category 2)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        none    
    Hazard statement(s)
    Toxic to aquatic life with long lasting effects.
    Precautionary statement(s)
    Avoid release to the environment.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R51/53        Toxic to aquatic organisms, may cause long-term adverse effects in the    
    aquatic environment.
    S-phrase(s)
    S61        Avoid release to the environment. Refer to special instructions/ Safety    
    data sheets.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C12H22O2    
    Molecular Weight        : 198,3 g/mol    
    Component        Concentration    
  Menthyl acetate
    CAS-No.        89-48-5        -    
    EC-No.        201-911-8    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition.
    Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low
    areas.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13). Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
  Body Protection
    impervious clothing, The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: colourless
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 228 - 229 °C - lit.
    boiling range
    g) Flash point        92 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,922 g/mL at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks.
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    Toxic to aquatic life with long lasting effects.
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    This combustible material may be burned in a chemical incinerator equipped with an afterburner and
    scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 3082        IMDG: 3082        IATA: 3082    
  UN proper shipping name
    ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Menthyl acetate)
    IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Menthyl acetate)
    IATA:        Environmentally hazardous substance, liquid, n.o.s. (Menthyl acetate)    
  Transport hazard class(es)
    ADR/RID: 9        IMDG: 9        IATA: 9    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: yes        IMDG Marine pollutant: yes        IATA: yes    
  Special precautions for user
  Further information
    EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
    packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915390090

概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 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:
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:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. 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:57.32

2、   摩尔体积m3/mol:213.9

3、   等张比容90.2K:498.4

4、   表面张力dyne/cm:29.4

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:22.72

计算化学数据


1、   疏水参数计算参考值(XlogP):3.6

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:3

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):26.3

7、   重原子数量:14

8、   表面电荷:0

9、   复杂度:199

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:3

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

上下游相关产品

上游产品

更多
  • 89-78-1

    薄荷脑

  • 108-24-7

    乙酸酐

  • 108-22-5

    乙酸异丙烯酯

  • 108-05-4

    醋酸乙烯酯

  • 64-19-7

    乙酸

下游产品

更多
  • 2216-51-5

    L-薄荷醇

  • 5157-89-1

    (1S)-(+)-乙酸薄荷酯

  • 2623-23-6

    乙酸薄荷酯

  • 15356-60-2

    D-薄荷醇

  • 491-07-6

    异薄荷酮

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