8-Hexadecyne


  • 中文别名:8-十六炔
  • 中文释义:8-十六炔;hept-4-yn-2-ol;4-Heptyn-2-ol;(3S)-4-ethylhexan-3-ol;4-Ethyl-3-hexanol;R(+)-propylenediamine dihydrochloride;(s)-1,2-propanediamine dihydrochloride;(s)-propylenediamine dihydrochloride;(s)-(-)-diaminopropane dihydrochloride;propane-1,2-diamine d
  • 英文别名:hexadec-8-yne;
    diheptylacetylene;
    Hexadec-8-in;
    8-HEXADECYNE;
    8-Hexadecyne 
  • CAS No.:19781-86-3
  • 分子式:C16H30
  • 分子量:222.41
  • 精确分子量:222.23500
  • PSA:0.00000
  • MDL:MFCD00046733
  • InChI:InChI=1/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3
  • 分子结构式:

物化性质

密度:
0.8
沸点:
115-6ºC 0,5mm
闪点:
124.5ºC
折射率:
1.45
蒸汽压:
0.00384mmHg at 25°C
其它信息:

1.性状:未确定

2.密度(g/mL,25/4℃):0.80

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):115-6°C0,5mm

6.沸点(ºC,5.2kPa):未确定

7.折射率:未确定

8.闪点(ºC):未确定

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(kPa,25ºC):未确定

12.饱和蒸气压(kPa,60ºC):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(KPa):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:未确定

安全信息

密度:
0.8
沸点:
115-6ºC 0,5mm
闪点:
124.5ºC
折射率:
1.45
蒸汽压:
0.00384mmHg at 25°C
其它信息:

1.性状:未确定

2.密度(g/mL,25/4℃):0.80

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):115-6°C0,5mm

6.沸点(ºC,5.2kPa):未确定

7.折射率:未确定

8.闪点(ºC):未确定

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(kPa,25ºC):未确定

12.饱和蒸气压(kPa,60ºC):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(KPa):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:未确定

MSDS

8-HexadecyneRevision number: 5
SAFETY DATA SHEET
Section1. IDENTIFICATION
Product name:8-Hexadecyne
Revision number:5
Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Aspiration hazardCategory 1
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
Hazard statements
May be fatal if swallowed and enters airways
Precautionary statements:
[Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Do NOT
induce vomiting.
[Storage]Store locked up.
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:8-Hexadecyne
Percent:>99.0%(GC)
CAS Number:19781-86-3
Chemical Formula:C16H30
Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
8-Hexadecyne
Section4. FIRST AID MEASURES
Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.
Section5. FIRE-FIGHTING MEASURES
Dry chemical, foam, carbon dioxide.
Suitable extinguishing
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
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: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:
Section6. 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 a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.
Section7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent generation of vapour or mist. 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.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Comply with laws.
Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath.
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.
Impervious gloves.
Hand protection:
Eye protection:Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Form:Clear
Colorless - Very pale yellow
Colour:
8-Hexadecyne
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Odour:No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:No data available
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:0.80
Solubility(ies):
[Water]No data available
[Other solvents]No data available
Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available
Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow:No data available
Soil adsorption (Koc):No data available
Henry's LawNo data available
constant(PaM3/mol):
Section13. 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.
Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not listed
8-Hexadecyne
Section15. 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

中国海关编码:2901299090

概述:
2901299090 其他不饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明
摘要/Summary:
2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、摩尔折射率:74.17

2、摩尔体积(m3/mol):275.9

3、等张比容(90.2K):646.8

4、表面张力(dyne/cm):30.1

5、介电常数(F/m):2.18

6、极化率(10-24cm3):29.40

计算化学数据

1.疏水参数计算参考值(XlogP):7.7

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:16

8.表面电荷:0

9.复杂度:161

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

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