Ethyl 2-oxo-4-phenylbutanoate

Modify Date: 2024-01-02 19:30:28

Ethyl 2-oxo-4-phenylbutanoate Structure
Ethyl 2-oxo-4-phenylbutanoate structure
Common Name Ethyl 2-oxo-4-phenylbutanoate
CAS Number 64920-29-2 Molecular Weight 206.238
Density 1.1±0.1 g/cm3 Boiling Point 309.0±0.0 °C at 760 mmHg
Molecular Formula C12H14O3 Melting Point N/A
MSDS Chinese USA Flash Point 140.0±19.2 °C

 Names

Name Ethyl 2-oxo-4-phenylbutyrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 309.0±0.0 °C at 760 mmHg
Molecular Formula C12H14O3
Molecular Weight 206.238
Flash Point 140.0±19.2 °C
Exact Mass 206.094299
PSA 43.37000
LogP 2.24
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.506

 MSDS

Name: Ethyl 2-oxo-4-phenylbutyrate 97% Material Safety Data Sheet
Synonym:
CAS: 64920-29-2
Section 1 - Chemical Product MSDS Name:Ethyl 2-oxo-4-phenylbutyrate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
64920-29-2 Ethyl 2-oxo-4-phenylbutyrate 97% 265-276-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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# 64920-29-2: 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: Liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 241 deg C @ 760 mmH
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.091
Molecular Formula: C12H14O3
Molecular Weight: 206.0962

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64920-29-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-oxo-4-phenylbutyrate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 64920-29-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64920-29-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64920-29-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S23-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2918300090

 Synthetic Route

 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%

 Articles5

More Articles
Efficient synthesis of a chiral precursor for angiotensin-converting enzyme (ACE) inhibitors in high space-time yield by a new reductase without external cofactors.

Org. Lett. 14(8) , 1982-5, (2012)

A new reductase, CgKR2, with the ability to reduce ethyl 2-oxo-4-phenylbutyrate (OPBE) to ethyl (R)-2-hydroxy-4-phenylbutyrate ((R)-HPBE), an important chiral precursor for angiotensin-converting enzy...

Scalable biocatalytic synthesis of optically pure ethyl (R)-2-hydroxy-4-phenylbutyrate using a recombinant E. coli with high catalyst yield.

J. Biotechnol. 168(4) , 493-8, (2013)

Ethyl (R)-2-hydroxy-4-phenylbutanoate [(R)-HPBE] is a versatile and important chiral intermediate for the synthesis of angiotensin-converting enzyme (ACE) inhibitors. Recombinant E. coli strain coexpr...

Effect of ionic liquid [BMIM][PF6] on asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate by Saccharomyces cerevisiae.

J. Ind. Microbiol. Biotechnol. 35(11) , 1419-24, (2008)

The effect of ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) on the asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate (EOPB) to synthesize optical active ethyl 2-hydroxy...

 Synonyms

Ethyl 2-oxo-4-phenylbutanoate
2-oxo-4-phenyl-butyric acid ethyl ester
BENZYLPYRUVIC ACID ETHYL ESTER
EINECS 265-276-9
2-oxo-4-phenylhexanoate
MFCD00037533
Ethy 2-oxo-4-phenylbutyrate
Ethyl-2-oxo-4-phenylbutanoat
ethyl 2-keto-4-phenylbutyrate
4-phenyl-2-oxobutyric acid ethyl ester
Benzenebutanoic acid, α-oxo-, ethyl ester
Ethyl 4-phenyl-2-oxobutanoate
ethyl 2-oxo-4-phenyl-butyrate
KETO ESTER
ETHYL-2 OXO-4 PHENYL BUTANOATE
ETHYL BENZYLPYRUVATE
ETHYL-2-OXO-4-PHENYLBUTRATE
2-oxo-4-phenylbutanoic acid ethyl ester
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