(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID

Modify Date: 2024-01-06 05:58:51

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure
(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID structure
Common Name (S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID
CAS Number 208113-95-5 Molecular Weight 174.19400
Density 1.092g/cm3 Boiling Point 272.4ºC at 760mmHg
Molecular Formula C8H14O4 Melting Point N/A
MSDS N/A Flash Point 104.3ºC

 Names

Name (s)-2-isopropylsuccinic acid-1-methyl ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.092g/cm3
Boiling Point 272.4ºC at 760mmHg
Molecular Formula C8H14O4
Molecular Weight 174.19400
Flash Point 104.3ºC
Exact Mass 174.08900
PSA 63.60000
LogP 0.90630

 MSDS

Name: (S)-2-Isopropylsuccinic Acid-1-Methyl Ester 95% (98% E.E.) Material Safety Data Sheet
Synonym: (S)-3-Methoxycarbonyl-4-Methylpentanoic Acid
CAS: 208113-95-5
Section 1 - Chemical Product MSDS Name:(S)-2-Isopropylsuccinic Acid-1-Methyl Ester 95% (98% E.E.) Material Safety Data Sheet
Synonym:(S)-3-Methoxycarbonyl-4-Methylpentanoic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
208113-95-5 (S)-2-Isopropylsuccinic Acid-1-Methyl 95% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. 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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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# 208113-95-5: 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:
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: Viscous liquid
Color: yellow
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 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: C8H14O4
Molecular Weight: 174.19

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 208113-95-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-2-Isopropylsuccinic Acid-1-Methyl Ester - 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
Not regulated as a hazardous material.

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# 208113-95-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 208113-95-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 208113-95-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases S24/25
HS Code 2918990090

 Synthetic Route

~%

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure

(S)-3-(METHOXYC...

CAS#:208113-95-5

Literature: Angewandte Chemie - International Edition, , vol. 37, # 13-14 p. 1931 - 1933

~%

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure

(S)-3-(METHOXYC...

CAS#:208113-95-5

Literature: Journal of Medicinal Chemistry, , vol. 41, # 14 p. 2461 - 2480

~%

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure

(S)-3-(METHOXYC...

CAS#:208113-95-5

Literature: Journal of Medicinal Chemistry, , vol. 41, # 14 p. 2461 - 2480

~%

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure

(S)-3-(METHOXYC...

CAS#:208113-95-5

Literature: Journal of Medicinal Chemistry, , vol. 41, # 14 p. 2461 - 2480

~%

(S)-3-(METHOXYCARBONYL)-4-METHYLPENTANOIC ACID Structure

(S)-3-(METHOXYC...

CAS#:208113-95-5

Literature: Journal of Medicinal Chemistry, , vol. 41, # 14 p. 2461 - 2480

 Precursor & DownStream

Precursor  2

DownStream  0

 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

(S)-2-Isopropylsuccinic acid-1-methyl ester
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