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| CAS No.: | 123-38-6 |
|---|---|
| Name: | Propionaldehyde |
| Article Data: | 1109 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H6O |
| Molecular Weight: | 58.08 |
| Synonyms: | 1-Propanal;1-Propanone;Ethylcarboxaldehyde;Methylacetaldehyde;NSC 6493;Propaldehyde;Propional;Propionic aldehyde;Propylic aldehyde;n-Propanal;n-Propionaldehyde;Propanal; |
| EINECS: | 204-623-0 |
| Density: | 0.798 g/cm3 |
| Melting Point: | -81 °C |
| Boiling Point: | 49.339 °C at 760 mmHg |
| Flash Point: | ?16°F |
| Solubility: | 540 g/L (20 °C) in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 9-16-29 |
| Transport Information: | UN 1275 3/PG 2 |
| PSA: | 17.07000 |
| LogP: | 0.59530 |
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| Conditions | Yield |
|---|---|
| (sulphos)Rh(CO)2 In octane; water at 100℃; for 1h; Product distribution; Further Variations:; Solvents; autoclave; | 100% |
| With chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); silver(I) 4-methylbenzenesulfonate In toluene at 60℃; for 6h; Inert atmosphere; | 100% |
| With [Ru(η3:η3-C10H16)Cl2(benzimidazole)] In glycerol at 75℃; for 12h; Sealed tube; Inert atmosphere; Green chemistry; | 99% |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium(II) complex of ferrocenylamine sulfide (2) In acetone under 4137.2 Torr; for 1h; or with catalyst 3, 2 h; | 100% |
| With hydrogen; Ni/AlPO4-SiO2; nickel In methanol at 47.9℃; for 0.666667h; | 100% |
| With 2%Pd/Al2O3; hydrogen; palladium In water at 150℃; under 3750.38 Torr; | 85% |
| Conditions | Yield |
|---|---|
| With C61H62ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 8h; Reagent/catalyst; Time; | 100% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 50℃; electrolysis; | A n/a B 99% |
| With C30H24N2O7W; dihydrogen peroxide In water; acetonitrile for 12h; Reflux; | A 64% B 23% |
| palladium at 50℃; for 4h; electrooxydation on Pt-Rh-electrode; | A 19.5% B 17% |
| Conditions | Yield |
|---|---|
| propylamine; di(rhodium)tetracarbonyl dichloride In ethanol at 110℃; under 50 Torr; for 1h; | 99% |
| With ; hydrogen In N,N-dimethyl-formamide at 100℃; under 42753.4 Torr; for 4.5h; Product distribution; other alkene; selectivity of the hydroformylation; | 74% |
| With hydrogen; silica gel; palladium var. Pd dispersion; |
| Conditions | Yield |
|---|---|
| With water; dichloro bis(acetonitrile) palladium(II) at 40℃; for 2h; | A 99% B n/a |
| Conditions | Yield |
|---|---|
| With tetrahexylammonium tetrakis(diperoxomolybdo)phosphate In chloroform at 40℃; for 48h; | 98% |
| With C19H20N3O2Ru(2+)*2F6P(1-) In aq. buffer at 24.84℃; for 1h; pH=1.8; Thermodynamic data; Activation energy; Reagent/catalyst; | 95% |
| With cetyltrimethylammonium bromochromate In dichloromethane for 2h; Heating; | 92% |
| Conditions | Yield |
|---|---|
| With C30H38Cl2Ir2N4 In dimethyl sulfoxide at 50℃; for 5h; | 95% |
| With oxygen; kieselguhr; copper(l) chloride In dichloromethane for 1.5h; Oxidation; Heating; | 91% |
- 71-23-8
propan-1-ol
- 82807-94-1
[closo-3,3-(triphenylphosphine)2-3-HSO4-3,1,2-RhC2B9H11] tetrahydrofuran solvate
A
- 53687-46-0
closo-3,3-(PPh3)2-3-H-3,1,2-RhC2B9H11
B
- 123-38-6
propionaldehyde
| Conditions | Yield |
|---|---|
| In propan-1-ol byproducts: H2SO4; under Ar, Rh complex suspended in 1-propanol, suspn. heated to 50°C in water bath for 10 min; ppt. filtered off, washed three times with ethanol and twice with diethyl ether, air-dried; | A 94% B n/a |
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II); cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; diethylene glycol dimethyl ether; 1,6-bis(diphenylphosphino)hexane; water In 1,2-dimethoxyethane; dichloromethane at 20 - 85℃; for 0.666667h; Inert atmosphere; | A 89 %Chromat. B 94% |
- 633-03-4Basic Green 1
- 2720-73-2Potassium amylxanthate
- 22722-98-1Aluminate(1-),dihydrobis[2-(methoxy-kO)ethanolato-kO]-, sodium (1:1)
- 1338-39-2Span 20
- 57028-96-3Polyhexamethyleneguanidine hydrochloride
- 27306-78-1Poly(oxy-1,2-ethanediyl),a-methyl-w-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propoxy]-
- 1314-36-9Yttrium oxide
- 10043-11-5Boron nitride
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
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- Total:27 Page 1 of 1 1
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Consensus Reports
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
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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