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Propionaldehyde

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Name

Propionaldehyde

EINECS 204-623-0
CAS No. 123-38-6 Density 0.798 g/cm3
Solubility 540 g/L (20 °C) in water Melting Point -81 °C
Formula C3H6O Boiling Point 49.339 °C at 760 mmHg
Molecular Weight 58.09 Flash Point ?16°F
Transport Information UN 1275 3/PG 2 Appearance colourless liquid
Safety 9-16-29 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 123-38-6 (Propionaldehyde) Hazard Symbols FlammableF,IrritantXi
Synonyms

1-Propanal;1-Propanone;Ethylcarboxaldehyde;Methylacetaldehyde;NSC 6493;Propaldehyde;Propional;Propionic aldehyde;Propylic aldehyde;n-Propanal;n-Propionaldehyde;Propanal;

 

Propionaldehyde Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory.

Propionaldehyde Standards and Recommendations

ACGIH TLV: TWA 20 ppm
DOT Classification:  3; Label: Flammable Liquid

Propionaldehyde Specification

The Propionaldehyde, with the CAS registry number 123-38-6, is also known as Propionic aldehyde. Its EINECS registry number is 204-623-0. This chemical's molecular formula is C3H6O and molecular weight is 58.07914. Its IUPAC name is called Propanal. What's more, this chemical's classification codes are Mutation Data; Skin / Eye Irritant.

Physical properties of Propionaldehyde: (1)ACD/LogP: 0.40; (2)ACD/LogD (pH 5.5): 0.404; (3)ACD/LogD (pH 7.4): 0.404; (4)ACD/BCF (pH 5.5): 1.194; (5)ACD/BCF (pH 7.4): 1.194; (6)ACD/KOC (pH 5.5): 39.517; (7)ACD/KOC (pH 7.4): 39.517; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.348; (11)Molar Refractivity: 16.134 cm3; (12)Molar Volume: 75.374 cm3; (13)Surface Tension: 20.503 dyne/cm; (14)Density: 0.771 g/cm3; (15)Enthalpy of Vaporization: 28.31 kJ/mol; (16)Boiling Point: 49.339 °C at 760 mmHg; (17)Vapour Pressure: 299.383 mmHg at 25°C.

Preparation: Propionaldehyde is mainly produced industrially through hydroformylation, by combining synthesis gas (carbon monoxide and hydrogen) with ethylene using a metal catalyst:

CO + H2 + C2H4 → CH3CH2CHO

Uses of Propionaldehyde: It is principally used as a precursor to trimethylolethane (CH3C(CH2OH)3) through a condensation reaction with methanol; this triol is an important intermediate in the production of alkyd resins. Condensation of propionaldehyde with tert-butylamine gives CH3CH2CH=N-t-Bu, a three-carbon building block used in organic synthesis. Deprotonation of this imine with LDA produces CH3CHLiCH=N-t-Bu, which in turn condenses with aldehydes.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is highly flammable. In addition, it is irritating to eyes, respiratory system and skin. There will be a explosive when mixed with combustible material. Contact with water, it will liberate toxic gas.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=O
(2)InChI: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
(3)InChIKey: NBBJYMSMWIIQGU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 10mL/kg (10mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0533450,
mammal (species unspecified) LC50 inhalation 21800mg/m3 (21800mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(7), Pg. 16, 1968.
mammal (species unspecified) LD50 oral 1400mg/kg (1400mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LC50 inhalation 21800mg/m3/2H (21800mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 102, 1982.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Technical Information Service. Vol. OTS0533450,
mouse LD50 subcutaneous 680mg/kg (680mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
mouse LDLo oral 800mg/kg (800mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rabbit LD50 skin 2460mg/kg (2460mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0543436,
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533450,
rat LD50 oral 1410mg/kg (1410mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 subcutaneous 820mg/kg (820mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

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