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ETHYL ACETATE-D3

CAS No.: 90691-33-1
Formula: C4H5D3O2
Molecular Weight: 91.12360
Suppliers: All(0) China Suppliers(0) Products(0)
  • Description
  • Basic Info
  • MSDS
  • Price
What is ETHYL ACETATE-D3

**Introduction to ETHYL ACETATE-D3** ETHYL ACETATE-D3 is a deuterated form of ethyl acetate, where three hydrogen atoms are replaced with deuterium (D), a stable isotope of hydrogen. This compound is widely used as a solvent and reagent in various scientific applications, particularly in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. Its deuterated structure makes it an excellent internal standard for analytical techniques, ensuring precise measurements and reducing interference in experiments. ETHYL ACETATE-D3 is also employed in organic synthesis, pharmaceutical research, and chemical labeling studies. With its high purity and stability, it is a valuable tool for researchers seeking accurate and reliable results in their work.

Preparation Process: To prepare **ETHYL ACETATE-D3 (Ethyl acetate-d3, CD3COOCH2CH3)**, follow these steps: 1. **Deuterated Acetic Acid Reaction**: React **deuterated acetic acid (CD3COOH)** with **ethanol (CH3CH2OH)** in the presence of a strong acid catalyst (e.g., concentrated sulfuric acid, H2SO4). 2. **Esterification**: Heat the mixture under reflux (60–80°C) for several hours to drive the esterification reaction: \[ \text{CD}_3\text{COOH} + \text{CH}_3\text{CH}_2\text{OH} \xrightarrow{\text{H}_2\text{SO}_4} \text{CD}_3\text{COOCH}_2\text{CH}_3 + \text{H}_2\text{O}} \] 3. **Purification**: Neutralize excess acid, extract with a solvent (e.g., diethyl ether), dry over anhydrous Na2SO4, and distill to isolate pure **ethyl acetate-d3**. 4. **Deuterium Exchange Check**: Confirm deuteration via NMR or mass spectrometry. (Word count: ~100)

Usage Scenarios: ETHYL ACETATE-D3 (ethyl acetate-d3) is a deuterated form of ethyl acetate, where three hydrogen atoms are replaced with deuterium. It is primarily used as a labeled internal standard in quantitative NMR (Nuclear Magnetic Resonance) and mass spectrometry (MS) for precise analytical measurements. The compound aids in tracking reaction mechanisms, studying metabolic pathways, and ensuring accuracy in pharmacokinetic and environmental studies. Its isotopic labeling minimizes interference in spectroscopic analyses, making it valuable in pharmaceutical research, forensic toxicology, and environmental testing. Additionally, ethyl acetate-d3 serves as a solvent in specialized chemical syntheses where deuterated reagents are required for isotopic effects or tracing.

ETHYL ACETATE-D3 Basic Info
Chemical Name ETHYL ACETATE-D3
Synonyms Aethyl-trideuteroacetat;Trideutero-essigsaeure-aethylester;Ethylacetat-1-(13)C;ethyl 1-13-acetate;2,2,2-Trideuterio-essigsaeure-aethylester;2,2,2-trideuterio-acetic acid ethyl ester;ethyl <2H3>acetate;ethyl [1-13C]acetate;ethyl acetate-carboxy-13C;ethyl(acetate-d3);[1-13C]Essigsaeure-aethylester;[1-13C]acetic acid ethyl ester;
CAS No. 90691-33-1
Molecular Formula C4H5D3O2
Molecular Weight 91.12360
PSA 26.30000
LogP 0.56940
ETHYL ACETATE-D3 Price
United States: $200-$300
China: $150-$250
Russia: No results
Germany: $300-$400
India: $100-$200
Japan: $350-$450
Brazil: $50-$100
South Korea: $200-$300
Philippines: No results
United Kingdom: $250-$350
France: $300-$400
Mexico: $150-$250
Canada: $250-$350
South Africa: $100-$200
Egypt: $150-$250
Turkey: $200-$300
Thailand: $100-$200
Indonesia: $50-$100
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name ETHYL ACETATE-D3

1.2 Other means of identification

Product number -
Other names Aethyl-trideuteroacetat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
ETHYL ACETATE-D3 ETHYL ACETATE-D3 90691-33-1 none 100%

4.First-aid measures

4.1 Description of necessary 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. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. 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.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. 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.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state no data available
Colour no data available
Odour no data available
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range no data available
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density no data available
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
ETHYL ACETATE-D3 ETHYL ACETATE-D3 90691-33-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 15, 2017
Revision Date Aug 15, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.