(1-2H)Acetaldehyde

Modify Date: 2024-01-10 07:26:07

(1-2H)Acetaldehyde Structure
(1-2H)Acetaldehyde structure
Common Name (1-2H)Acetaldehyde
CAS Number 4122-13-8 Molecular Weight 45.059
Density 0.7±0.1 g/cm3 Boiling Point 18.6±3.0 °C at 760 mmHg
Molecular Formula C2H3DO Melting Point N/A
MSDS N/A Flash Point -40.0±0.0 °C

 Names

Name 1-deuterioethanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.7±0.1 g/cm3
Boiling Point 18.6±3.0 °C at 760 mmHg
Molecular Formula C2H3DO
Molecular Weight 45.059
Flash Point -40.0±0.0 °C
Exact Mass 45.032490
PSA 17.07000
LogP -0.16
Vapour Pressure 964.5±0.0 mmHg at 25°C
Index of Refraction 1.315

 MSDS

Version 1.2
Regulation (EC) No 1907/2006

1 - Product and Company Information

Product NameACET(ALDEHYDE-D) 98+ ATOM % D

2 - Hazards Identification

SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
May cause cancer. May cause heritable genetic damage. Extremely
flammable. Harmful by inhalation, in contact with skin and if
swallowed. Irritating to eyes, respiratory system and skin.

3 - Composition/Information on Ingredients

Product NameCAS #EC noAnnex I
Index Number
ACET(ALDEHYDE-D) 98+ ATOM % D4122-13-8 223-921-1 None
FormulaC2H3DO
Molecular Weight 45,0600 AMU

4 - First Aid Measures

AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

5 - Fire Fighting Measures

EXTINGUISHING MEDIA
Suitable: For small (incipient) fires, use media such as
"alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large
quantities (flooding) of water applied as a mist or spray; solid
streams of water may be ineffective. Cool all affected
containers with flooding quantities of water.
SIGMAwww.molbase.com
SPECIAL RISKS
Specific Hazard(s): Extremely flammable. Vapor may travel
considerable distance to source of ignition and flash back.
Explosion Hazards: Vapor may travel considerable distance to
source of ignition and flash back.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

6 - Accidental Release Measures

PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Shut off all sources of ignition. Evacuate area.
METHODS FOR CLEANING UP
Cover with an activated carbon adsorbent, take up and place in
closed containers. Transport outdoors.

7 - Handling and Storage

HANDLING
Directions for Safe Handling: Do not breathe vapor. Avoid
contact with eyes, skin, and clothing. Avoid prolonged or
repeated exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Keep away from heat
and open flame. Store under nitrogen.
Unsuitable: Forms explosive peroxides on prolonged storage
Store at -20°C
SPECIAL REQUIREMENTS: May develop pressure. Open carefully. Air
sensitive.

8 - Exposure Controls / Personal Protection

ENGINEERING CONTROLS
Use only in a chemical fume hood. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash contaminated clothing before reuse. Wash thoroughly after
handling.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.

9 - Physical and Chemical Properties

pH N/A
BP/BP Range20,000. - 21,000 °C.760,000 mmHg
MP/MP RangeN/A
Flash Point- 27,000 °C.Method: closed cup
FlammabilityN/A
Autoignition TempN/A
Oxidizing PropertiesN/A
Explosive PropertiesN/A
SIGMAwww.molbase.com
Explosion LimitsN/A
Vapor Pressure707,256000000 mmHg 20,00 °C
SG/Density0,8060 g/cm3
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A

10 - Stability and Reactivity

STABILITY
Conditions of Instability: May decompose on exposure to air.
Materials to Avoid: Strong acids, Oxidizing agents, Reducing
agents, Strong bases.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.

11 - Toxicological Information

SENSITIZATION
Sensitization: May cause allergic reaction.
SIGNS AND SYMPTOMS OF EXPOSURE
Pulmonary edema. Effects may be delayed. Dermatitis. Nausea,
headache, and vomiting. Exposure can cause: Symptoms of exposure
may include burning sensation, coughing, wheezing, laryngitis,
shortness of breath, headache, nausea, and vomiting.
ROUTE OF EXPOSURE
Eye Contact: Causes severe eye irritation.
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract.
Multiple Routes: Harmful if swallowed, inhaled, or absorbed
through skin.
TARGET ORGAN INFORMATION
Central nervous system. Blood. Lungs. Kidneys. Liver.
CHRONIC EXPOSURE - CARCINOGEN
Result: Carcinogen.
CHRONIC EXPOSURE - REPRODUCTIVE HAZARD
Result: Overexposure may cause reproductive disorder(s) based on
tests with laboratory animals.

12 - Ecological Information

No data available.

13 - Disposal Considerations
SIGMAwww.molbase.com

SUBSTANCE DISPOSAL
Burn in a chemical incinerator equipped with an afterburner and
scrubber but exert extra care in igniting as this material is
highly flammable. Observe all federal, state, and local
environmental regulations.

14 - Transport Information

RID/ADR
UN#: 1089
Class: 3
PG: I
Proper Shipping Name: Acetaldehyde
IMDG
UN#: 1089
Class: 3
PG: I
Proper Shipping Name: Acetaldehyde
Marine Pollutant: No
Severe Marine Pollutant: No
IATA
UN#: 1089
Class: 3
PG: I
Proper Shipping Name: Acetaldehyde
Inhalation Packing Group I: No

15 - Regulatory Information

CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: F+-T
Extremely Flammable. Toxic.
R-PHRASES: 45-46-12-20/21/22-36/37/38
May cause cancer. May cause heritable genetic damage. Extremely
flammable. Harmful by inhalation, in contact with skin and if
swallowed. Irritating to eyes, respiratory system and skin.
S-PHRASES: 53-16-26-36/37/39-45
Avoid exposure - obtain special instructions before use. Keep
away from sources of ignition - no smoking. In case of contact
with eyes, rinse immediately with plenty of water and seek
medical advice. Wear suitable protective clothing, gloves, and
eye/face protection. In case of accident or if you feel unwell,
seek medical advice immediately (show the label where possible).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

16 - Other Information

WARRANTY
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
SIGMAwww.molbase.com
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
SIGMAwww.molbase.com


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Synthetic Route

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Literature: Mukherjee, Jogeshwar; Banerji, Kalyan K. Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical, 1981 , vol. 20, # 4 p. 394 - 395

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Literature: Cederstav, Anna K.; Novak, Bruce M. Journal of the American Chemical Society, 1994 , vol. 116, # 9 p. 4073 - 4074

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Detail
Literature: Levy, Ophir; Bino, Avi Chemistry - A European Journal, 2012 , vol. 18, # 50 p. 15944 - 15947

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Literature: Lown; Chauhan Journal of Organic Chemistry, 1981 , vol. 46, # 12 p. 2479 - 2489

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Detail
Literature: Lown; Chauhan Journal of Organic Chemistry, 1981 , vol. 46, # 12 p. 2479 - 2489

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Detail
Literature: Lown; Chauhan Journal of Organic Chemistry, 1981 , vol. 46, # 12 p. 2479 - 2489

~%

(1-2H)Acetaldehyde Structure

(1-2H)Acetaldehyde

CAS#:4122-13-8

Detail
Literature: Goodale, J. W.; Evans, D. K.; Ivanco, M.; McAlpine, Robert D. Canadian Journal of Chemistry, 1990 , vol. 68, # 8 p. 1437 - 1439

 Synonyms

(1-H)Acetaldehyde
CH3CDO
acetaldehyde-1-d1
Acetaldehyde-1-d
deuteriated acetaldehyde
acetaldehyde-d1
EINECS 223-921-1