3-buten-1-yl isothiocyanate

Modify Date: 2024-01-05 18:19:19

3-buten-1-yl isothiocyanate Structure
3-buten-1-yl isothiocyanate structure
Common Name 3-buten-1-yl isothiocyanate
CAS Number 3386-97-8 Molecular Weight 113.18100
Density 0.9g/cm3 Boiling Point 163.3ºC at 760 mmHg
Molecular Formula C5H7NS Melting Point N/A
MSDS N/A Flash Point 44.2ºC

 Names

Name 4-isothiocyanatobut-1-ene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9g/cm3
Boiling Point 163.3ºC at 760 mmHg
Molecular Formula C5H7NS
Molecular Weight 113.18100
Flash Point 44.2ºC
Exact Mass 113.03000
PSA 44.45000
LogP 1.66530
Index of Refraction 1.484

 MSDS

3-Buten-1-yl Isothiocyanate Revision number: 5
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:3-Buten-1-yl Isothiocyanate

Revision number:5

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
Flammable liquids
HEALTH HAZARDS
Category 3
Acute toxicity (Oral)
Acute toxicity (Inhalation)Category 3
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 2A
Respiratory tract irritation
Specific target organ toxicity
- Single exposure [Category 3]
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
Flammable liquid and vapour
Hazard statements
Toxic if swallowed or if inhaled
Causes skin irritation
Causes serious eye irritation
May cause respiratory irritation
Precautionary statements:
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
[Prevention]
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
3-Buten-1-yl Isothiocyanate

Section2. HAZARDS IDENTIFICATION
[Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician.
IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
mouth.
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 (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
[Storage]Store in a well-ventilated place. Keep container tightly closed.
Store locked up.
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components:3-Buten-1-yl Isothiocyanate
Percent:>95.0%(GC)
CAS Number:3386-97-8
Synonyms:Isothiocyanic Acid 3-Buten-1-yl Ester
Chemical Formula:C5H7NS

Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician.
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.
Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry 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 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.
3-Buten-1-yl Isothiocyanate

Section6. ACCIDENTAL RELEASE MEASURES
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.

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 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.
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.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Moisture-sensitive
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.
Hand protection:Impervious gloves.
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
Colour:Colorless - Yellow
Odour:No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:77°C/2.8kPa
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
0.99
Relative density:
Solubility(ies):
[Water]No data available
[Other solvents]No data available
3-Buten-1-yl Isothiocyanate

Section10. 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
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), 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
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
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
3: Flammable liquid.
Hazards Class:
Subsidiary risk:6.1: Toxic substance.
UN-No:1992
Proper shipping name:Flammable liquid, toxic, n.o.s.
Packing group:III

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.
3-Buten-1-yl Isothiocyanate


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

RIDADR 1992.0
HS Code 2930909090

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Isothiocyanic Acid 3-Buten-1-yl Ester
But-3-enylisothiocyanat
but-3-en-1-yl isothiocyanate
3-butenyl-ITC
but-3-enyl isothiocyanate
1-Butene,4-isothiocyanato
EINECS 222-209-8
3-Buten-1-yl Isothiocyanate
3-butenylisothiocyanate