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2689-68-1

2689-68-1 structure
2689-68-1 structure

Name methyl 4-oxotetrahydrothiophene-3-carboxylate
Synonyms methyl tetrahydro-4-oxo-3-thenoate
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE
Methyl 4-oxotetrahydrothiophene-3-carboxylate
Methyl4-oxotetrahydrothiophene-3-carboxylate
3-oxo-4-methoxycarbonyltetrahydrothiophene
methyl 4-keto-tetrahydrothiophene-3-carboxylate
methyl 4-oxo-tetrahydro-thiophene-3-carboxylate
Methyl 4-oxotetrahydro-3-thiophenecarboxylate
Methyl tetrahydro-4-oxo-3-thiophenecarboxylate
4-Carbomethoxytetrahydro-3-thiophenone
4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone
Methyl 3-oxotetrahydrothiophene-4-carboxylate
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester
Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech.
4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester
METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE
tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester
methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate
Density 1.3±0.1 g/cm3
Boiling Point 248.4±40.0 °C at 760 mmHg
Melting Point 38-41ºC
Molecular Formula C6H8O3S
Molecular Weight 160.191
Flash Point 116.7±15.4 °C
Exact Mass 160.019409
PSA 68.67000
LogP -0.10
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.528
Storage condition 2~8℃
Name: Methyl 4-oxotetrahydrothiophene-3-carboxylate 95+% Material Safety Data Sheet
Synonym: Methyl tetrahydro-4-oxo-3-thenoat
CAS: 2689-68-1
Section 1 - Chemical Product MSDS Name:Methyl 4-oxotetrahydrothiophene-3-carboxylate 95+% Material Safety Data Sheet
Synonym:Methyl tetrahydro-4-oxo-3-thenoat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2689-68-1 Methyl 4-oxotetrahydrothiophene-3-carb 95+% 220-256-9
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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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:
Vacuum or sweep up material and place into a suitable disposal 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:
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# 2689-68-1: 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: Solid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 95 deg C @3.5mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H8O3S
Molecular Weight: 160

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2689-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4-oxotetrahydrothiophene-3-carboxylate - 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# 2689-68-1: No information available.
Canada
CAS# 2689-68-1 is listed on Canada's DSL List.
CAS# 2689-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2689-68-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-37/39
HS Code 2934999090

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2689-68-1 structure

2689-68-1

Literature: LAILA NUTRACEUTICALS Patent: US2010/68178 A1, 2010 ; Location in patent: Page/Page column 17 ;

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2689-68-1 structure

2689-68-1

Literature: MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 24-25 ;

~46%

2689-68-1 structure

2689-68-1

Literature: ELI LILLY AND COMPANY Patent: WO2004/94400 A2, 2004 ; Location in patent: Page 41 ; WO 2004/094400 A2

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2689-68-1 structure

2689-68-1

Literature: Liu, Hsing-Jang; Ngooi, Teng Ko Canadian Journal of Chemistry, 1982 , vol. 60, p. 437 - 439
HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%