4-正癸醇

4-正癸醇 基本信息
CAS号 2051-31-2 分子式 C10H22O
分子量 158.28100 精确质量  158.16700
PSA  20.23000 LogP  3.11780

等价的CAS号:

2051-31-2,74683-68-4,120523-18-4,138256-82-3

基本信息 展开↓

CAS号:
2051-31-2
3D弹球模型:
立即前往扯扯看
分子式:
C10H22O
分子量:
158.28100
中文名称:
4-正癸醇
英文名称:
4-DECANOL
中文别名:
4-正癸醇;
4-癸醇
英文别名:
4-DECANOL;
Decanol-4;
N-HEXYL-N-PROPYLCARBINOL;
propylheptanol;
1-Propylheptyl alcohol;
Hexylpropylcarbinol;
4-Decyl Alcohol;
4-DECYL ALCOHOL;
decan-4-ol;
Propyl-hexyl-carbinol;
Decane-4-ol;
Propyl-n-hexyl-carbinol
精确分子量/精确质量:
158.16700
极性分子表面积/PSA:
20.23000
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:
MFCD00039627
EINECS:
218-117-2
BRN:
1735252
InChI:
InChI=1/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1

物化性质展开↓

外观与性状:
透明无色液体
密度:
0.82
沸点:
210-211 °C
闪点:
82 °C
折射率:
1.431-1.433
蒸汽压:
0.0365mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

 

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

        

其它信息:

1.       性状:液体

2.       密度(g/mL,25ºC):0.828

3.       相对密度(20℃,4℃):0.824

4.       熔点(ºC):-11.4

5.       沸点(ºC):210

6.       相对密度(25℃,4℃):0.820

7.       折射率:1.431-1.433

8.       闪点(°C):82

9.       常温折射率(n20):1.4334

10.    常温折射率(n25):1.431

11.    蒸气压(kPa,20ºC):未确定

12.    饱和蒸气压(kPa,25ºC):未确定

13.    临界温度(ºC):390.55

14.    临界密度(g·cm-3):0.246

15.    临界体积(cm3·mol-1):643

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:难溶于水的

安全信息展开↓

海关代码:
2905199090
危险类别码:
36/37/38-20/21/22
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn,Xi

合成路线查看所有的合成路线

  • 36971-14-9

    1-hexylbut-3-en-1-ol

  • +

  • 107-02-8

    丙烯醛

  • ~15%

  • 2051-31-2

    4-正癸醇

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  • 56956-11-7

    6-hexyltetrahydropyran-2-ol

  • 124-18-5

    癸烷

  • 1565-81-7

    3-正癸醇

  • +

  • 1120-06-5

    2-癸醇

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  • 5205-34-5

    5-癸醇

  • +

  • 112-30-1

    1-癸醇

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    甲基辛基甲酮

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  • 2051-31-2

    4-正癸醇

  • 111-71-7

    庚醛

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  • 628-91-1

    DI-N-PROPYLZINC

  • 111-70-6

    正庚醇

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  • 2051-31-2

    4-正癸醇

化学图谱

  1. 4-癸醇核磁图(1HNMR)

  2. 4-癸醇核磁图(13CNMR)

  3. 4-癸醇质谱(MS)

  4. 4-癸醇红外图谱(IR1)

  5. 4-癸醇Raman光谱

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毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 4-Decanol 99% Material Safety Data Sheet
Synonym: None
CAS: 2051-31-2
Section 1 - Chemical Product   MSDS Name:4-Decanol 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2051-31-2 4-Decanol 99 218-117-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Combustible liquid. Can form explosive mixtures at temperatures above the flashpoint. Use water spray to keep fire-exposed containers cool.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use only in a well-ventilated area. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2051-31-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 210 - 211 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 82 deg C ( 179.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8260g/cm3
Molecular Formula: C10H22O
Molecular Weight: 158.28

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Mechanical shock, incompatible materials, ignition sources, excess heat, temperatures above 75C (167F).
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2051-31-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Decanol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 2051-31-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2051-31-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2051-31-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2905199090

概述:
2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装
摘要/Summary:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:71.3

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:1

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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