n-acetyl-s-benzyl-l-cysteine methyl ester

Modify Date: 2024-01-08 11:05:33

n-acetyl-s-benzyl-l-cysteine methyl ester Structure
n-acetyl-s-benzyl-l-cysteine methyl ester structure
Common Name n-acetyl-s-benzyl-l-cysteine methyl ester
CAS Number 77549-14-5 Molecular Weight 267.34400
Density 1.169g/cm3 Boiling Point 451.4ºC at 760 mmHg
Molecular Formula C13H17NO3S Melting Point 67-73ºC
MSDS N/A Flash Point 226.8ºC

 Names

Name methyl (2R)-2-acetamido-3-benzylsulfanylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.169g/cm3
Boiling Point 451.4ºC at 760 mmHg
Melting Point 67-73ºC
Molecular Formula C13H17NO3S
Molecular Weight 267.34400
Flash Point 226.8ºC
Exact Mass 267.09300
PSA 80.70000
LogP 1.98840
Index of Refraction 1.545
Storage condition 0-6°C

 MSDS

Name: N-Acetyl-S-benzyl-L-cysteine methyl ester Material Safety Data Sheet
Synonym:
CAS: 77549-14-5
Section 1 - Chemical Product MSDS Name:N-Acetyl-S-benzyl-L-cysteine methyl ester Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
77549-14-5 N-Acetyl-S-benzyl-L-cysteine methyl es 100.0 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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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. 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. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. 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 cool, dry, well-ventilated area away from incompatible substances. 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# 77549-14-5: 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:
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: Crystalline powder
Color: White - Fine Crystalline Powder
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67-73 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:
Specific Gravity/Density:
Molecular Formula: C13H17NO3S
Molecular Weight: 267.33

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77549-14-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Acetyl-S-benzyl-L-cysteine 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 77549-14-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77549-14-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77549-14-5 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 2930909090

 Synthetic Route

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Applewhite et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 1465,1468

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Van Bladeren; Buys; Breimer; Van Der Gen European Journal of Medicinal Chemistry, 1980 , vol. 15, # 6 p. 495 - 497

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Kemp, D. S.; Buckler, David R.; Galakatos, Nicholas George; Kerkman, Daniel Journal of Organic Chemistry, 1989 , vol. 54, # 16 p. 3853 - 3858

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Kemp, D. S.; Galakatos, Nicholas G.; Bowen, Benjamin; Tan, Kenneth Journal of Organic Chemistry, 1986 , vol. 51, # 10 p. 1829 - 1838

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Kemp, D. S.; Galakatos, Nicholas G.; Bowen, Benjamin; Tan, Kenneth Journal of Organic Chemistry, 1986 , vol. 51, # 10 p. 1829 - 1838

~%

n-acetyl-s-benzyl-l-cysteine methyl ester Structure

n-acetyl-s-benz...

CAS#:77549-14-5

Literature: Kemp, D. S.; Buckler, David R. Tetrahedron Letters, 1991 , vol. 32, # 26 p. 3013 - 3016

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

N-Acetyl-S-benzyl-L-cystein-methylester
N-acetyl-S-benzyl-L-cysteine methyl ester