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16128-68-0

16128-68-0结构式
16128-68-0结构式

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中文名 1,2-二巯基丁烷
英文名 1,2-Dimercaptobutane
中文别名 1,2-丁二硫醇
英文别名 EINECS 240-290-8
1,2-Butanedithiol
SHY2&1SH
Butane-1,2-dithiol
MFCD00039649
1,2-Dimercaptobutane
密度 1.0±0.1 g/cm3
沸点 176.5±13.0 °C at 760 mmHg
分子式 C4H10S2
分子量 122.252
闪点 61.1±15.1 °C
精确质量 122.022392
PSA 77.60000
LogP 2.19
外观性状 液体
蒸汽压 1.5±0.3 mmHg at 25°C
折射率 1.502
储存条件 存放于惰性气体之中;避免空气
计算化学

1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:2

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:2

7.重原子数量:6

8.表面电荷:0

9.复杂度:28.7

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

1,2-Butanedithiol Revision number: 5
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:1,2-Butanedithiol

Revision number:5

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 4
Flammable liquids
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordWarning
Hazard statementsCombustible liquid
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Keep away from flames and hot surfaces.
[Prevention]
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
[Response]IF IN EYES: 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.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
[Storage]Store in a well-ventilated place. Keep cool.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:1,2-Butanedithiol
Percent:>97.0%(GC)
16128-68-0
CAS Number:
Synonyms:1,2-Dimercaptobutane
1,2-Butanedithiol

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Chemical Formula:C4H10S2

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. Gently wash with plenty of
soap and water. 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.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
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, water spray, carbon dioxide.
Suitable extinguishing
media:
Unsuitable extinguishing Solid streams of water
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: 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 personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: 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.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
case of a fire. Use spark-proof tools and explosion-proof equipment.
hazards:

Section7. 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 flames and hot surfaces. 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, ventilation.
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, dark and well-ventilated place.
Store under inert gas.
Store away from incompatible materials such as oxidizing agents.
Air-sensitive
Packaging material:Comply with laws.
1,2-Butanedithiol

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Clear
Form:
Colour:Colorless - Very pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:77°C/3.7kPa
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:1.04
Solubility(ies):
[Water]No data available
No data available
[Other solvents]

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Conditions to avoid:Open flame
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides
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
No data available
NTP =
Reproductive toxicity:No data available

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
Algae:No data available
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow:No data available
1,2-Butanedithiol

Section12. ECOLOGICAL INFORMATION
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
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No:Not listed

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
危害码 (欧洲) Xi
海关编码 2930909090

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16128-68-0结构式

16128-68-0

文献:Canadian Journal of Research, Section B: Chemical Sciences, , vol. 25, p. 25
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海关编码 2930909090
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