tert-Butyl Crotonate

Modify Date: 2024-01-03 11:03:19

tert-Butyl Crotonate Structure
tert-Butyl Crotonate structure
Common Name tert-Butyl Crotonate
CAS Number 79218-15-8 Molecular Weight 142.19600
Density 0.89 g/cm3 Boiling Point 82ºC / 97mmHg
Molecular Formula C8H14O2 Melting Point N/A
MSDS Chinese USA Flash Point 23ºC
Symbol GHS02 GHS05
GHS02, GHS05
Signal Word Danger

 Names

Name tert-Butyl Crotonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.89 g/cm3
Boiling Point 82ºC / 97mmHg
Molecular Formula C8H14O2
Molecular Weight 142.19600
Flash Point 23ºC
Exact Mass 142.09900
PSA 26.30000
LogP 1.90420
Index of Refraction n20/D 1.425
Storage condition Refrigerator

 MSDS

tert-Butyl Crotonate Revision number: 6
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:tert-Butyl Crotonate

Revision number:6

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
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 statementsFlammable liquid and vapour
Causes skin irritation
Causes serious eye 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.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
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.
[Storage]Store in a well-ventilated place. Keep cool.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.
tert-Butyl Crotonate

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:tert-Butyl Crotonate
Percent:>98.0%(GC)
CAS Number:79218-15-8
Synonyms:Crotonic Acid tert-Butyl Ester
Chemical Formula:C8H14O2

Section4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
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.
Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, carbon dioxide.
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: 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
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
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 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
Keep container tightly closed. Store in an explosion-poof refregerator.
Storage conditions:
tert-Butyl Crotonate

Section7. HANDLING AND STORAGE
Store under inert gas.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive, Air-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: Vapor respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Eye protection:Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Liquid
Physical state (20°C):
Form:Clear
Colour:Colorless - Very pale yellow
Odour:No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:82°C/13kPa
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
No data available
Upper:
Relative density:0.89
Solubility(ies):
[Water]No data available
[Other solvents]No data available
Log Pow:2.09

Section10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
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
products:

Section11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
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:
No data available
Fish:
Crustacea:No data available
tert-Butyl Crotonate

Section12. ECOLOGICAL INFORMATION
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
2.09
Log Pow:
Soil adsorption (Koc):No data available
No data available
Henry's Law
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:
UN-No:3272
Esters, n.o.s.
Proper shipping name:
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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS02 GHS05
GHS02, GHS05
Signal Word Danger
Hazard Statements H226-H318
Precautionary Statements P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi
Risk Phrases 10
Safety Phrases 16
RIDADR UN 3272
Packaging Group III
HS Code 29161900

 Synthetic Route

~52%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: Yang, Dan; Zhang, Yu-Hui; Li, Bing; Zhang, Dan-Wei Journal of Organic Chemistry, 2004 , vol. 69, # 22 p. 7577 - 7581

~%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: US5773610 A1, ;

~95%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: Davies, Stephen G.; Mulvaney, Andrew W.; Russell, Angela J.; Smith, Andrew D. Tetrahedron Asymmetry, 2007 , vol. 18, # 13 p. 1554 - 1566

~95%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: Yadav; Reddy, Gondi Sudershan; Srinivas, Dale; Himabindu, Konuru Synthetic Communications, 1998 , vol. 28, # 13 p. 2337 - 2342

~%

Detail
Literature: Synthesis, , vol. 44, # 3 art. no. Z97311SS, p. 423 - 430

~%

Detail
Literature: Synthesis, , vol. 44, # 3 art. no. Z97311SS, p. 423 - 430

~%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: Tetrahedron Letters, , vol. 26, # 3 p. 381 - 384

~%

tert-Butyl Crotonate Structure

tert-Butyl Crotonate

CAS#:79218-15-8

Literature: Bulletin de la Societe Chimique de France, , p. 2992 - 2998

 Synonyms

(E)-tert-Butyl crotonate
(E)-tert-butyl but-2-enoate
2-butenoic acid t-butyl ester
Carbonochloridothioicacid,S-(1,1-dimethylethyl) ester
t-butyl chlorothioformate
S-t-butyl chlorothioformate
tert-butyl (E)-but-2-enoate
S-tert-butyl chlorothioformate
Thiokohlensaeurechlorid-S-(tert.-butylester)
S-tert-butyl carbonochloridothioate
t-butyl chlorothiolformate
1,1-dimethylethylthiocarbonyl chloride
tert-butyl (E)-2-butenoate
t-butyl crotonate
tert-butyl (E)-crotonate