methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate

Modify Date: 2024-01-27 12:53:28

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure
methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate structure
Common Name methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate
CAS Number 98258-72-1 Molecular Weight 266.29100
Density 1.169g/cm3 Boiling Point 426.3ºC at 760mmHg
Molecular Formula C17H14O3 Melting Point 119-120ºC
MSDS N/A Flash Point 189.5ºC

 Names

Name methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.169g/cm3
Boiling Point 426.3ºC at 760mmHg
Melting Point 119-120ºC
Molecular Formula C17H14O3
Molecular Weight 266.29100
Flash Point 189.5ºC
Exact Mass 266.09400
PSA 43.37000
LogP 3.36930
Index of Refraction 1.609

 MSDS

Name: Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate 98+% (NMR) Material Safety Data Sheet
Synonym: None Known
CAS: 98258-72-1
Section 1 - Chemical Product MSDS Name:Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate 98+% (NMR) Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98258-72-1 Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) B 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 98258-72-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119.00 - 120.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: negligible
Specific Gravity/Density:
Molecular Formula: C17H14O3
Molecular Weight: 266.29

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 98258-72-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 98258-72-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 98258-72-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98258-72-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 37/39-26
HS Code 2918300090

 Synthetic Route

~81%

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure

methyl 4-(3-oxo...

CAS#:98258-72-1

Literature: Varma, Rajender S.; Kabalka, George W.; Evans, Lan T.; Pagni, Richard M. Synthetic Communications, 1985 , vol. 15, # 4 p. 279 - 284

~18%

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure

methyl 4-(3-oxo...

CAS#:98258-72-1

Literature: Unoh, Yuto; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 5096 - 5102

~%

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure

methyl 4-(3-oxo...

CAS#:98258-72-1

Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173

~%

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure

methyl 4-(3-oxo...

CAS#:98258-72-1

Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173

~%

methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate Structure

methyl 4-(3-oxo...

CAS#:98258-72-1

Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate (NMR)
4-(3-Oxo-3-phenyl-propenyl)-benzoesaeure-methylester
4-(3-oxo-3-phenyl-propenyl)-benzoic acid methyl ester
4-(3-oxo-3-phenyl-1-propenyl)-benzoic acid,methyl ester
4-carbomethoxychalcone
METHYL 4-(3-OXO-3-PHENYLPROP-1-ENYL)BENZOATE
METHYL 4-[(E)-3-OXO-3-PHENYL-PROP-1-ENYL]BENZOATE
MFCD00216483