2-Butenoic acid,2-cyano-3-methyl-, ethyl ester

Modify Date: 2024-01-03 23:05:38

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure
2-Butenoic acid,2-cyano-3-methyl-, ethyl ester structure
Common Name 2-Butenoic acid,2-cyano-3-methyl-, ethyl ester
CAS Number 759-58-0 Molecular Weight 153.17800
Density 1.014 g/mL at 25ºC(lit.) Boiling Point 98-99ºC1 mm Hg(lit.)
Molecular Formula C8H11NO2 Melting Point ca 20℃
MSDS Chinese USA Flash Point 224 °F
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name ethyl 2-cyano-3-methylcrotonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.014 g/mL at 25ºC(lit.)
Boiling Point 98-99ºC1 mm Hg(lit.)
Melting Point ca 20℃
Molecular Formula C8H11NO2
Molecular Weight 153.17800
Flash Point 224 °F
Exact Mass 153.07900
PSA 50.09000
LogP 1.40948
Index of Refraction n20/D 1.464(lit.)
Storage condition 2-8℃

 MSDS

Name: Ethyl 2-cyano-3-methyl-2-butenoate 98% Material Safety Data Sheet
Synonym:
CAS: 759-58-0
Section 1 - Chemical Product MSDS Name:Ethyl 2-cyano-3-methyl-2-butenoate 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
759-58-0 Ethyl 2-cyano-3-methyl-2-butenoate 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 759-58-0: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: colorless to slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120 - 122 deg C @ 2
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 107 deg C ( 224.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: immiscible with water
Specific Gravity/Density: 1.0140g/cm3
Molecular Formula: C8H11NO2
Molecular Weight: 153.0825

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 759-58-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-cyano-3-methyl-2-butenoate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 759-58-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 759-58-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 759-58-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302 + H312 + H332-H315-H319-H335
Precautionary Statements P261-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 Xn
Risk Phrases R20/21/22
Safety Phrases S26-S37-S39
RIDADR UN 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~96%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Ying, An-Guo; Wu, Cheng-Lin; He, Guang-Hong Asian Journal of Chemistry, 2012 , vol. 24, # 2 p. 653 - 656

~82%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6136982 A1, 2000 ;

~%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Polish Journal of Chemistry, , vol. 52, p. 1389 - 1394

~%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Journal of Organic Chemistry, , vol. 26, p. 2738 - 2740

~%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Chemische Berichte, , vol. 48, p. 261

~%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Chemische Berichte, , vol. 48, p. 261

~%

2-Butenoic acid,2-cyano-3-methyl-, ethyl ester Structure

2-Butenoic acid...

CAS#:759-58-0

Literature: Chemische Berichte, , vol. 33, p. 3532

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles1

More Articles
Phospha-Michael additions to activated internal alkenes: steric and electronic effects.

J. Org. Chem. 77(3) , 1378-85, (2012)

The addition of P(O)-H bonds to internal alkenes has been accomplished under solvent-free conditions without the addition of a catalyst or radical initiator. Using a prototypical secondary phosphine o...

 Synonyms

ethyl 2-cyano-3-methylbut-2-enoate
MFCD00009135