(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID

Modify Date: 2024-04-02 23:44:36

(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID Structure
(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID structure
Common Name (S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID
CAS Number 145080-95-1 Molecular Weight 229.23000
Density 1.13g/cm3 Boiling Point 289.3ºC at 760mmHg
Molecular Formula C10H15NO5 Melting Point N/A
MSDS N/A Flash Point 114ºC

 Names

Name diethyl (2S)-2-isocyanatopentanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 289.3ºC at 760mmHg
Molecular Formula C10H15NO5
Molecular Weight 229.23000
Flash Point 114ºC
Exact Mass 229.09500
PSA 82.03000
LogP 0.59720
Vapour Pressure 0.002mmHg at 25°C

 MSDS

Diethyl (S)-(-)-2-Isocyanatoglutarate Revision number: 5
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:Diethyl (S)-(-)-2-Isocyanatoglutarate

Revision number:5

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Acute toxicity (Oral)Category 4
Category 4
Acute toxicity (Inhalation)
Skin corrosion/irritationCategory 2
Category 2A
Serious eye damage/eye irritation
Specific target organ toxicityRespiratory tract irritation
- Single exposure [Category 3]
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statementsHarmful if swallowed or if inhaled
Causes skin irritation
Causes serious eye irritation
May cause respiratory irritation
Precautionary statements:
Avoid breathing dust/fume/gas/mist/vapours/spray.
[Prevention]
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
Diethyl (S)-(-)-2-Isocyanatoglutarate

Section2. HAZARDS IDENTIFICATION
[Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
[Storage]Store in a well-ventilated place. Keep container tightly closed.
Store locked up.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Diethyl (S)-(-)-2-Isocyanatoglutarate
Components:
Percent:>97.0%(GC)
CAS Number:145080-95-1
Synonyms:Diethyl (S)-(-)-2-Isocyanatopentanedioate , (S)-(-)-2-Isocyanatoglutaric Acid Diethyl
Ester , (S)-(-)-2-Isocyanatopentanedioic Acid Diethyl Ester
Chemical Formula:C10H15NO5

Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Unsuitable extinguishing Solid streams of water
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical:generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use extra personal protective equipment (self-contained breathing apparatus). Keep
protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Diethyl (S)-(-)-2-Isocyanatoglutarate

Section6. ACCIDENTAL RELEASE MEASURES
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a refrigerator.
Store under inert gas.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive, Air-sensitive
Comply with laws.
Packaging material:

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
air respirator, etc. Use respirators approved under appropriate government standards
and follow local and national regulations.
Impervious gloves.
Hand protection:
Eye protection:Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Form:Clear
Very pale yellow - Yellow
Colour:
Odour:No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:151°C/1.3kPa
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:1.13
Solubility(ies):
[Water]No data available
[Other solvents]No data available

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Diethyl (S)-(-)-2-Isocyanatoglutarate

Section10. STABILITY AND REACTIVITY
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea:No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow:No data available
No data available
Soil adsorption (Koc):
Henry's LawNo data available
constant(PaM3/mol):

Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
Not listed
UN-No:

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
Diethyl (S)-(-)-2-Isocyanatoglutarate


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S26-S36-S37-S39
HS Code 2929109000

 Synthetic Route

~96%

(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID Structure

(S)-(-)-2-HYDRO...

CAS#:145080-95-1

Literature: Nowick, James S.; Powell, Noel A.; Nguyen, Tram M.; Noronha, Glenn Journal of Organic Chemistry, 1992 , vol. 57, # 28 p. 7364 - 7366

~%

(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID Structure

(S)-(-)-2-HYDRO...

CAS#:145080-95-1

Literature: Justus Liebigs Annalen der Chemie, , vol. 575, p. 217,230

 Customs

HS Code 2929109000
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

(S)-(-)-2-Isocyanatopentanedioic Acid Diethyl Ester
N-carbonyl-L-glutamic acid diethyl ester
diethyl (2S)-2-isocyanatoglutarate
N-Carbonyl-L-glutaminsaeure-diaethylester
(S)-(-)-2-Isocyanatoglutaric Acid Diethyl Ester
Diethyl (S)-(-)-2-Isocyanatopentanedioate
I0468
Diethyl (S)-(-)-2-Isocyanatoglutarate
(S)-2-Isocyanato-glutarsaeure-diaethylester