(S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE

Modify Date: 2024-01-10 23:15:58

(S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE Structure
(S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE structure
Common Name (S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE
CAS Number 777-33-3 Molecular Weight 211.09500
Density 1.604g/cm3 Boiling Point 379.225ºC at 760 mmHg
Molecular Formula C6H4F3NO4 Melting Point 131-132ºC(lit.)
MSDS Chinese USA Flash Point 183.149ºC
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name N-[(3S)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.604g/cm3
Boiling Point 379.225ºC at 760 mmHg
Melting Point 131-132ºC(lit.)
Molecular Formula C6H4F3NO4
Molecular Weight 211.09500
Flash Point 183.149ºC
Exact Mass 211.00900
PSA 75.96000
LogP 0.34730
Index of Refraction 1.428

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: (S)-(−)-2-(Trifluoroacetamido)succinic anhydride
Product name
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 777-33-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 2), H300
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
T ToxicR25
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H300Fatal if swallowed.
Precautionary statement(s)
P264Wash hands thoroughly after handling.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Synonyms: N-Trifluoroacetyl-L-aspartic acid anhydride
(S)-(−)-2-Trifluoroacetamidosuccinic anhydride
Formula: C6H4F3NO4
Molecular Weight: 211,10 g/mol
CAS-No.: 777-33-3
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
(S)-(-)-2-(Trifluoroacetamido)succinic anhydride
CAS-No.777-33-3Acute Tox. 2; H300<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
(S)-(-)-2-(Trifluoroacetamido)succinic anhydride
CAS-No.777-33-3T, R25<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 131 - 132 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents, acids
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. ((S)-(-)-2-(Trifluoroacetamido)succinic anhydride)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. ((S)-(-)-2-(Trifluoroacetamido)succinic anhydride)
IATA:Toxic solid, organic, n.o.s. ((S)-(-)-2-(Trifluoroacetamido)succinic anhydride)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H300
Precautionary Statements P264-P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T
Risk Phrases 25
Safety Phrases 36-45
RIDADR UN 2811 6.1/PG 3

 Synthetic Route

~%

(S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE Structure

(S)-(-)-2-(2-CA...

CAS#:777-33-3

Literature: Weygand et al. Chemische Berichte, 1957 , vol. 90, p. 1879,1890 Show Details Gong, Bing; Lynn, David G. Journal of Organic Chemistry, 1990 , vol. 55, # 15 p. 4763 - 4765

 Synonyms

N-trifluoroacetyl aspartic anhydride
2-(S)-trifluoroacetamidosuccinic anhydride
MFCD00012332
N-Trifluoroacetyl-L-aspartic acid anhydride
(S)-N-trifluoroacetyl-aspartic acid-anhydride
(S)-(-)-2-(Trifluoroacetamido)succinic anhydride
(S)-N-Trifluoracetyl-asparaginsaeure-anhydrid