N,N-二乙基环己胺

N,N-二乙基环己胺 基本信息
CAS号 91-65-6 分子式 C10H21N
分子量 155.28000 精确质量  155.16700
PSA  3.24000 LogP  2.66090

基本信息 展开↓

CAS号:
91-65-6
3D弹球模型:
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分子式:
C10H21N
分子量:
155.28000
中文名称:
N,N-二乙基环己胺
英文名称:
N,N-diethylcyclohexanamine
中文别名:
N,N-二乙基环己胺;
COUMARINE;
1-Benzopyran-2-one;
1,2-Benzopyrone;
Chromen-2-one;
O-Oxy-Cinnamic Lactone;
2H-chromen-2-one;
Coumarin;
6-methyl-quinolin;
AntioxidantAW;
antioxidantec;
Ethoxy Quinoline;
6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline;
Ethoxyquine;
Ethoxyquin;
(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name);
Glucono-δ-lactone USP26 FCCIV;
葡萄糖酸内酯;
Xenol;
BIPHENYLOL-2;
HYDROXY-(2-PHENYL)BENZENE;
FEMA 3959;
DOWICIDE 1(R);
2-DIPHENYLOL;
2-HYDROXYDIPHENYL;
Ortho Phenylphenol;
o-phenylphenol;
O-Phenyl phenol;
WR 10019;
o-Hydroxybenzanilide;
Salicylanilide;
Fat Red (bluish);
Fat Red HRR;
Fat Red R;
Fat Red RS;
Fat Red RS (VAN);
Fat Red, Bluish (VAN);
Fat Scarlet LB;
Fat Soluble Red ZH;
Fettponceau G;
Fettrot;
Fettscharlach;
Fettscharlach LB;
Grasal Brilliant Red G;
Grasan Brilliant Red G;
Japan Red 225;
Motirot 2R;
NSC 65825;
Oil Red;
Oil Red 3G;
Oil Red 6;
Germalgene;
Tri-Clene;
Trielene;
Trilene;
Trichloran;
Trichloren;
Algylen;
Trimar;
Triline;
Trethylene;
Trichlorathane;
Trichloroethylene (TCE);
Trichloroethylene;
astreptin
英文别名:
N,N-diethylcyclohexanamine;
diethylaminocyclohexane;
Cyclohexanamine,N,N-diethyl;
trans-2-(N,N-diethylamino)cyclohexane;
Cyclohexyldiethylamine;
EINECS 202-087-2;
Cyclohexylamine,N,N-diethyl;
diethyl cyclohexyl amine;
N,N-Diethylcyclohexylamine
精确分子量/精确质量:
155.16700
极性分子表面积/PSA:
3.24000
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:
202-087-2
InChI:
InChI=1/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3

生产制备方法及用途展开↓

制备方法


用于检验锌和锰,有机合成,染料中间体和溶剂。

用途简介


用途


用于检验锌和锰,有机合成,染料中间体和溶剂。

物化性质展开↓

密度:
0,84 g/cm3
沸点:
193 °C
闪点:
57°C
折射率:
n20/D 1.4562(lit.)
存储条件/存储方法:

本品应密封于阴凉干燥处避光保存。

稳定性相关:

具有腐蚀性,在空气和日光下易氧化变色。能随水蒸气挥发。

其它信息:

1.       性状:无色到黄色油状液体。有特殊气味。在空气和日光下易氧化变色。能随水蒸气挥发。

2.       密度(g/mL,20/4℃):0.850

3.       熔点(ºC):  -38

4.       沸点(ºC,常压):194~195

5.       折射率(20ºC):1.4562

6.       闪点(ºC):97

7.       溶解性:能溶于乙醇、苯,微溶于水。12℃时,1g产品溶于70ml水,微溶于乙醇、乙醚和氯仿。

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2921300090
危险类别码:
34-20/21/22
安全说明:
S26-S36/37/39-S45-S27-S16
RTECS号:
GU5830125
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
:
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 108-94-1

    环己酮

  • +

  • 75-05-8

    乙腈

  • +

  • 108-93-0

    环己醇

  • ~86%

  • 91-65-6

    N,N-二乙基环己胺

  • 108-94-1

    环己酮

  • +

  • 109-89-7

    二乙胺

  • ~39%

  • 91-65-6

    N,N-二乙基环己胺

  • +

  • 108-93-0

    环己醇

  • 108-91-8

    环己胺

  • +

  • 75-05-8

    乙腈

  • 5459-93-8

    N-乙基环己胺

  • +

  • 91-65-6

    N,N-二乙基环己胺

化学图谱

  1. N,N-二乙基环己胺质谱(MS)

  2. N,N-二乙基环己胺核磁图(13CNMR)

  3. N,N-二乙基环己胺核磁图(1HNMR)

  4. N,N-二乙基环己胺红外图谱(IR1)

  5. N,N-二乙基环己胺红外图谱(IR2)

  6. N,N-二乙基环己胺Raman光谱

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毒理性展开↓

毒理学数据:

为碱性腐蚀品。具有腐蚀性,能引起烧伤。

MSDS 展开↓

  N,N-Diethylcyclohexylamine
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        N,N-Diethylcyclohexylamine    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS
    Category 1B
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statements        Flammable liquid and vapour    
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
  [Response]
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
  [Storage]        Store in a well-ventilated place. Keep cool.    
    Store locked up.
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  N,N-Diethylcyclohexylamine

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        N,N-Diethylcyclohexylamine    
  Percent:        >98.0%(GC)(T)    
  CAS Number:        91-65-6    
  Chemical Formula:        C10H21N    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (self-contained breathing apparatus). Keep    
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
    Avoid contact with skin, eyes and clothing.
  Advice on safe handling:
  N,N-Diethylcyclohexylamine

Section 7. HANDLING AND STORAGE
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool, dark and well-ventilated place.    
    Store under inert gas.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
  Form:        Clear    
  Colour:        Colorless - Slightly pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        193°C    
    57°C
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        0.84    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Spark, Open flame, Static discharge    
  Incompatible materials: Oxidizing agents, Acids
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
    ihl-rat LCLo:679 mg/m3/4H
  Acute Toxicity:
    skn-rbt LDLo:450 mg/kg
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
  N,N-Diethylcyclohexylamine

Section 11. TOXICOLOGICAL INFORMATION
  Reproductive toxicity:        No data available    
  RTECS Number:        GU5830125    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to 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 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
  Subsidiary risk:        3: Flammable liquid.    
  UN-No:        2734    
  Proper shipping name:        Amines, liquid, corrosive, flammable, n.o.s.    
    II
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921300090

概述:
2921300090 其他环(烷,烯,萜烯)单胺或多胺(包括其衍生物及它们的盐). 增值税率:17.0% 退税率:9.0% 监管条件:无 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
摘要/Summary:
2921300090 other cyclanic, cyclenic or cyclotherpenic mono- or polyamines, and their derivatives; salts thereof。Supervision conditions:None。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:50.15

2、  摩尔体积(cm3/mol):182.3

3、  等张比容(90.2K):365.3

4、  表面张力(dyne/cm):29.5

5、  极化率(10-24cm3):19.88

计算化学数据


1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积3.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:91

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

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  • 108-91-8

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  • 108-94-1

    环己酮

  • 108-93-0

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下游产品

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  • 5459-93-8

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