十氢2-萘酚乙酸酯

十氢2-萘酚乙酸酯 基本信息
CAS号 10519-11-6 分子式 C12H20O2
分子量 196.28600 精确质量  196.14600
PSA  26.30000 LogP  2.90840

等价的CAS号:

10519-11-6,36667-74-0,36667-75-1,54289-24-6,54324-64-0,54656-99-4,66964-88-3,66964-89-4,91684-32-1,91684-33-2,92621-77-7,92621-78-8

基本信息 展开↓

CAS号:
10519-11-6
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分子式:
C12H20O2
分子量:
196.28600
中文名称:
十氢2-萘酚乙酸酯
英文名称:
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate
中文别名:
十氢2-萘酚乙酸酯;
β-十氢化萘乙酸酯
英文别名:
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate;
trans-cis-2-decahydronaphthyl acetate;
2-Naphthalenol,decahydro-,acetate;
2-NAPHTHOL,DECAHYDRO-,ACETATE;
2-Decalinyl acetate;
Decahydronaphthol acetate;
trans,cis-2-decalyl acetate;
Decahydro-2-naphthalenol acetate;
Decahydro-2-naphthyl acetate
精确分子量/精确质量:
196.14600
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。
EINECS:
234-054-3
InChI:
The Key: XKCLIPLFEJSOAT-IJLUTSLNSA-N

生产制备方法及用途展开↓

制备方法


萘酚在醋酸醇溶液中以铑、氧化铝催化氢化,然后用醋酐酯化得到产物。

合成制备方法


萘酚在醋酸醇溶液中以铑、氧化铝催化氢化,然后用醋酐酯化得到产物。

用途简介


可用来调制一般皂用及化妆品用μA香精。

用途


可用来调制一般皂用及化妆品用μA香精。

物化性质展开↓

密度:
1g/cm3
沸点:
252.2ºC at 760mmHg
闪点:
104.3ºC
折射率:
1.48
蒸汽压:
0.0196mmHg at 25°C
存储条件/存储方法:

贮运及保管铝桶装,置于干燥阴凉处。

其它信息:

1.性状:淡黄色或无色透明的液体。

2.溶解性:不溶于水,易溶于乙醚及酒精。

合成路线查看所有的合成路线

  • 493-02-7

    反式十氢化萘

  • +

  • 108-24-7

    乙酸酐

  • 21370-71-8

    反-1-十酮

  • +

  • 10519-11-6

    十氢2-萘酚乙酸酯

  • +

  • 66964-89-4

    (+/-)-trans,cis-decahydro-2-naphthyl acetate

  • +

  • 22222-28-2

    22222-28-2

  • +

  • 22222-29-3

    22222-29-3

  • +

  • 4832-17-1

    2-萘烷酮

  • 127-08-2

    乙酸钾

  • 10519-11-6

    十氢2-萘酚乙酸酯

  • 36667-73-9

    36667-73-9

  • +

  • 108-24-7

    乙酸酐

  • 10519-11-6

    十氢2-萘酚乙酸酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL3447000
CHEMICAL NAME :
2-Naphthol, decahydro-, acetate
CAS REGISTRY NUMBER :
10519-11-6
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H20-O2
MOLECULAR WEIGHT :
196.32
WISWESSER LINE NOTATION :
L66TJ COV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,755,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,755,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,755,1979

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : DECAHYDRO-2-NAPHTHYL ACETATE    
    CAS-No.        : 10519-11-6    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
  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
  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        : C12H20O2    
    Molecular Weight        : 196,29 g/mol    
    Component        Concentration    
  DECAHYDRO-2-NAPHTHYL ACETATE
    CAS-No.        10519-11-6        -    

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
    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
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
  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
    Pick up and arrange disposal without creating dust. Sweep up and shovel. 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
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  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
    Use equipment for eye protection tested and approved under appropriate government standards
    such as NIOSH (US) or EN 166(EU).
  Skin protection
    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.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. 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: solid    
    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 no data available
    boiling range
    g) Flash point        no data available    
    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        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: 3,648
    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
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

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
    no data available
  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
    no data available
  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: QL3447000

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.
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 3077        IMDG: 3077        IATA: 3077    
  UN proper shipping name
    ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (DECAHYDRO-2-
    NAPHTHYL ACETATE)
    IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (DECAHYDRO-2-
    NAPHTHYL ACETATE)
    IATA:        Environmentally hazardous substance, solid, n.o.s. (DECAHYDRO-2-NAPHTHYL 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
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

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:55.31

2、  摩尔体积(cm3/mol):194.5

3、  等张比容(90.2K):471.0

4、  表面张力(dyne/cm):34.3

5、  极化率(10-24cm3):21.92

计算化学数据


1.疏水参数计算参考值(XlogP):3.5

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:212

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

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  • 493-02-7

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  • 108-24-7

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  • 4832-17-1

    2-萘烷酮

  • 127-08-2

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