环庚甲酸

环庚甲酸 基本信息
CAS号 1460-16-8 分子式 C8H14O2
分子量 142.19600 精确质量  142.09900
PSA  37.30000 LogP  2.04140

基本信息 展开↓

CAS号:
1460-16-8
3D弹球模型:
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分子式:
C8H14O2
分子量:
142.19600
中文名称:
环庚甲酸
英文名称:
Cycloheptanecarboxylic acid
中文别名:
环庚甲酸;
环庚烷羧酸;
环庚基甲酸
英文别名:
Cycloheptanecarboxylic acid;
Cyclohepatan carboxylic acid;
Cycloheptanecarboxylic Acid;
Cycloheptane carboxylic acid;
Cycloheptancarbonsaeure;
Cycloheptanoic acid;
Cycloheptanecarboxylicacid;
cycloheptylcarboxylic acid;
Cyclohexylamine
精确分子量/精确质量:
142.09900
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:
MFCD00004152
EINECS:
215-954-5
PubChem:
24893201
InChI:
InChI=1/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)/p-1

生产制备方法及用途展开↓

制备方法


有机合成

用途简介


用途


有机合成

物化性质展开↓

外观与性状:
透明无色液体
密度:
1.035 g/mL at 25 °C(lit.)
熔点:
71ºC
沸点:
135-138 °C9 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.4704(lit.)
蒸汽压:
0.00318mmHg at 25°C
存储条件/存储方法:

常温 ,避光,通风干燥处

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,15℃):1.035

3.       沸点(ºC):253759

4.       熔点(ºC):71

5.       沸点(ºC,常压):135-138

6.       折射率:1.4704

7.       闪点(ºC):118

8.       相对密度(20℃,4℃):1.0368

9.       常温折射率(n20):1.4722

10.    蒸气压(kPa,25ºC):0.003

11.    饱和蒸气压(kPa,60ºC):未确定

12.    燃烧热(KJ/mol):55.09

13.    临界温度(ºC):未确定

14.    临界压力(KPa):未确定

15.    油水(辛醇/水)分配系数的对数值:未确定

16.    爆炸上限(%,V/V):未确定

17.    爆炸下限(%,V/V):未确定

  1. 溶解性:2.4 g/L (25 C)

安全信息展开↓

海关代码:
2916209090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 1614-73-9

    cyclohept-4-ene-1-carboxylic acid

  • ~90%

  • 1460-16-8

    环庚甲酸

  • 502-49-8

    环辛酮

  • ~35%

  • 1460-16-8

    环庚甲酸

  • 291-64-5

    环庚烷

  • +

  • 201230-82-2

    carbon monoxide

  • ~26%

  • 1460-16-8

    环庚甲酸

  • +

  • 502-42-1

    环庚酮

化学图谱

  1. 环庚羧酸红外图谱(IR1)

  2. 环庚羧酸质谱(MS)

  3. 环庚羧酸核磁图(13CNMR)

  4. 环庚羧酸Raman光谱

  5. 环庚羧酸核磁图(1HNMR)

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毒理性展开↓

生态数据:

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 and of the company/undertaking
  Product identifiers
    Product name        : Cycloheptanecarboxylic acid    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 1460-16-8    
  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
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C8H14O2    
    Molecular Weight        : 142,20 g/mol    
    CAS-No.        : 1460-16-8    
    EC-No.        : 215-954-5    
    No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  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.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  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 breathing vapours, mist or gas.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    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
    Normal measures for preventive fire protection.
    For precautions see section 2.2.
  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 use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  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
    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
    Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
    (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
    appropriate government standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    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 135 - 138 °C at 12 hPa - lit.
    boiling range
    g) Flash point        > 113,00 °C - closed cup    
    h) Evapouration 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        1,035 g/mL at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        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
    Stable under recommended storage conditions.
  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
    In the event of fire: see section 5

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 sensitisation
    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
  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
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    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: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

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
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Further information
    Copyright 2013 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.

海关数据查看详细

中国海关编码:2916209090

概述:
2916209090 其他(环烷、环烯、环萜烯)一元羧酸(包括酸酐、酰卤化物,过氧化物和过氧酸及该税号的衍生物). 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: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:
2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their 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: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:38.38

2、摩尔体积(cm3/mol):136.4

3、等张比容(90.2K):340.9

4、表面张力(dyne/cm):39

5、介电常数:无可用的

6、极化率(10-24cm3):15.21

7、单一同位素质量:142.09938 Da

8、标称质量:142 Da

9、平均质量:142.1956 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):2.4

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:1

5、   互变异构体数量:未确定

6、   拓扑分子极性表面积(TPSA):37.3

7、   重原子数量:10

8、   表面电荷:0

9、   复杂度:112

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: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
  • 291-64-5

    环庚烷

  • 201230-82-2

    carbon monoxide

  • 1614-73-9

    cyclohept-4-ene-1-carboxylic acid

  • 502-49-8

    环辛酮

  • 193222-78-5

    diazoacetylcycloheptane

下游产品

更多
  • 4277-29-6

    环庚烷甲醛

  • 4448-75-3

    环庚烷甲醇

  • 20920-03-0

    1-羟基-环庚羧酸

  • 502-42-1

    环庚酮

  • 155412-18-3

    2-溴-1-环庚基乙酮

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