METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE

Modify Date: 2024-01-02 06:39:56

METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure
METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE structure
Common Name METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE
CAS Number 112489-57-3 Molecular Weight 220.26400
Density 1.055g/cm3 Boiling Point 311.8ºC at 760mmHg
Molecular Formula C13H16O3 Melting Point N/A
MSDS N/A Flash Point 127.5ºC

 Names

Name Methyl (2E,4S)-4-(benzyloxy)-2-pentenoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.055g/cm3
Boiling Point 311.8ºC at 760mmHg
Molecular Formula C13H16O3
Molecular Weight 220.26400
Flash Point 127.5ºC
Exact Mass 220.11000
PSA 35.53000
LogP 2.32090
Vapour Pressure 0.000552mmHg at 25°C
Index of Refraction 1.511

 MSDS

Name: Methyl(2E 4S)-(-)-4-(phenylmethoxy)pent-2-enoate Material Safety Data Sheet
Synonym: None
CAS: 112489-57-3
Section 1 - Chemical Product MSDS Name:Methyl(2E 4S)-(-)-4-(phenylmethoxy)pent-2-enoate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
112489-57-3 Methyl(2E,4S)-(-)-4-(phenylmethoxy)pen 100 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture.

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 112489-57-3: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in methanol, diethylether, thf
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 220.27

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 112489-57-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl(2E,4S)-(-)-4-(phenylmethoxy)pent-2-enoate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 112489-57-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 112489-57-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 112489-57-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2918990090

 Synthetic Route

~0%

METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

METHYL(2E,4S)-(...

CAS#:112489-57-3

Literature: Annunziata, Rita; Cinquini, Mauro; Cozzi, Franco; Dondio, Gulio; Raimondi, Laura Tetrahedron, 1987 , vol. 43, # 10 p. 2369 - 2380

~84%

METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

METHYL(2E,4S)-(...

CAS#:112489-57-3

Literature: Enders, Dieter; Jandeleit, Bernd; Von Berg, Stefan Journal of Organometallic Chemistry, 1997 , vol. 533, # 1-2 p. 219 - 236

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METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

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CAS#:112489-57-3

Literature: Organic letters, , vol. 3, # 22 p. 3591 - 3593

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METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

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CAS#:112489-57-3

Literature: Tetrahedron, , vol. 44, # 2 p. 491 - 502

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METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

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CAS#:112489-57-3

Literature: Tetrahedron, , vol. 43, # 8 p. 1895 - 1902

~%

METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

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CAS#:112489-57-3

Literature: Journal of Organometallic Chemistry, , vol. 533, # 1-2 p. 219 - 236

~%

METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

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CAS#:112489-57-3

Literature: Journal of Organometallic Chemistry, , vol. 533, # 1-2 p. 219 - 236

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METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

METHYL(2E,4S)-(...

CAS#:112489-57-3

Literature: Organic Letters, , vol. 10, # 10 p. 2079 - 2081

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METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE Structure

METHYL(2E,4S)-(...

CAS#:112489-57-3

Literature: Tetrahedron Asymmetry, , vol. 2, # 12 p. 1329 - 1342

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

2,4-Heptadienoic acid,6-oxo-,methyl ester,(Z,Z)
Methyl-6-oxo-2,4-trans,trans-heptadienoat
methyl (2E,4E)-6-oxohepta-2,4-dienoate
methyl (2E)-(4S)-4-benzyloxypent-2-enoate
2,4-Heptadienoic acid,6-oxo-,methyl ester,(E,Z)
(E)-(S)-[MeCH(OCH2C6H5)CHCHCO2Me]
(2E,4E)-6-Oxohepta-2,4-diensaeure-methylester
methyl 6-oxo-2(E),4(E)-heptadienoate