(2H5)Ethyl (2H3)acetate

Modify Date: 2024-01-02 21:43:31

(2H5)Ethyl (2H3)acetate Structure
(2H5)Ethyl (2H3)acetate structure
Common Name (2H5)Ethyl (2H3)acetate
CAS Number 117121-81-0 Molecular Weight 96.154
Density 0.9±0.1 g/cm3 Boiling Point 73.9±3.0 °C at 760 mmHg
Molecular Formula C4D8O2 Melting Point -84ºC(lit.)
MSDS Chinese USA Flash Point -3.3±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger

 Names

Name 1,1,2,2,2-pentadeuterioethyl 2,2,2-trideuterioacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 73.9±3.0 °C at 760 mmHg
Melting Point -84ºC(lit.)
Molecular Formula C4D8O2
Molecular Weight 96.154
Flash Point -3.3±0.0 °C
Exact Mass 96.102646
PSA 26.30000
LogP 0.71
Vapour Pressure 111.7±0.1 mmHg at 25°C
Index of Refraction 1.373
Storage condition 2-8°C

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Ethyl acetate-d8
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.: 117121-81-0
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
Flammable liquids (Category 2), H225
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H336
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
F Highly flammableR11
Xi IrritantR36
R66
R67
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)
H225Highly flammable liquid and vapour.
H319Causes serious eye irritation.
H336May cause drowsiness or dizziness.
Precautionary statement(s)
P210Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard information (EU)
EUH066Repeated exposure may cause skin dryness or cracking.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms: Ethyl-d5 acetate-d3
Ethyl-d5 acetate-d3
Formula: C4O2D8
Molecular Weight: 96,15 g/mol
CAS-No.: 117121-81-0
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Ethyl acetate-d8
CAS-No.117121-81-0Flam. Liq. 2; Eye Irrit. 2; STOT <= 100 %
SE 3; H225, H319, H336,
EUH066
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Ethyl acetate-d8
CAS-No.117121-81-0F, Xi, R11 - R36 - R66 - R67 <= 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. 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
Do NOT induce vomiting. 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
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
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
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
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 inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. hygroscopic
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
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
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
impervious clothing, Flame retardant antistatic protective clothing, 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 respirator
with multi-purpose combination (US) or type ABEK (EN 14387) 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: liquid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -84 °C - lit.
point
f) Initial boiling point and77 °C - lit.
boiling range
g) Flash point-3 °C - closed cup
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 density0,984 g/mL at 25 °C0,984 g/cm3 at 25 °C
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
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
no data available
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
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
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
Specific target organ toxicity - single exposure
May cause drowsiness or dizziness.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Central nervous system depression, prolonged or repeated exposure can cause:, Nausea, Headache,
Vomiting, narcosis, anemia

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
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 1173IMDG: 1173IATA: 1173
UN proper shipping name
ADR/RID: ETHYL ACETATE
IMDG: ETHYL ACETATE
IATA:Ethyl acetate
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
EUH066Repeated exposure may cause skin dryness or cracking.
Eye Irrit.Eye irritation
Flam. Liq.Flammable liquids
H225Highly flammable liquid and vapour.
H319Causes serious eye irritation.
H336May cause drowsiness or dizziness.
STOT SESpecific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
F Highly flammable
Xi Irritant
R11 Highly flammable.
R36 Irritating to eyes.
R66 Repeated exposure may cause skin dryness or cracking.
R67 Vapours may cause drowsiness and dizziness.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger
Hazard Statements H225-H319-H336
Supplemental HS Repeated exposure may cause skin dryness or cracking.
Precautionary Statements P210-P261-P305 + P351 + P338
Hazard Codes F: Flammable;Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 16-26-36/37/39
RIDADR UN 1173 3/PG 2
WGK Germany 3

 Synthetic Route

~%

(2H5)Ethyl (2H3)acetate Structure

(2H5)Ethyl (2H3...

CAS#:117121-81-0

Literature: Mido, Yoshiyuki; Shiomi, Hidenori; Matsuura, Hiroatsu; Raso, Miguel Angel; Garcia, M. Victoria; Morcillo, Jesus Journal of Molecular Structure, 1988 , vol. 176, p. 253 - 278

~%

(2H5)Ethyl (2H3)acetate Structure

(2H5)Ethyl (2H3...

CAS#:117121-81-0

Literature: Nolin Canadian Journal of Chemistry, 1953 , vol. 31, p. 1257

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 Synonyms

Essigsaeuremethylester-d8
2,2,2-trideuterio-acetic acid pentadeuterioethyl ester
(H)Ethyl (H)acetate
Ethyl-d5 acetate-d3
2,2,2-Trideuterio-essigsaeure-pentadeuterioaethylester
Aethylacetat-d8
Acetic-d acid, ethyl-d ester
MFCD00190440
Ethyl acetate-d8