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| CAS No.: | 137-40-6 |
|---|---|
| Name: | Sodium propionate |
| Molecular Structure: | |
|
|
|
| Formula: | C3H5NaO2 |
| Molecular Weight: | 96.0613 |
| Synonyms: | Propanoicacid, sodium salt (9CI);Bioban-S;Deketon;Impedex;Mycoban;Napropion;Ocuseptine;Propi-Ophtal;Propiofar;Propion;Propisol;Sodium ethanecarboxylate;Whit-Pro; |
| EINECS: | 205-290-4 |
| Density: | 1.51[at 20℃] |
| Melting Point: | 285-286 °C(lit.) |
| Boiling Point: | 141.7 °C at 760 mmHg |
| Flash Point: | 57.7 °C |
| Solubility: | water: 0.1 g/mL, clear |
| Appearance: | white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 21-38-36/37/38 |
| Safety: | 36/37-36/37/39-26-36 |
| PSA: | 40.13000 |
| LogP: | -0.85370 |
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| Conditions | Yield |
|---|---|
| With bis(acetylacetonato)dioxidomolybdenum(VI) In water at 200 - 270℃; Inert atmosphere; | 20% |
| Conditions | Yield |
|---|---|
| With hydrogen; platinum In water at 10 - 40℃; Kinetics; Thermodynamic data; Ea; |
A
- 137-40-6
sodium proprionate
B
- 19115-00-5
sodium salt of diphenyl phosphine oxide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In sodium hydroxide at 95.1℃; Title compound not separated from byproducts; | |
| With sodium hydroxide In sodium hydroxide at 95.1℃; Rate constant; |
A
- 137-40-6
sodium proprionate
B
- 73493-56-8
sodium (2R)-<2-2H1>propanoate
C
- 123701-28-0
sodium (2S)-<2-2H1>propanoate
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydrogencarbonate; platinum In water at 23℃; for 144h; | |
| With oxygen; sodium hydrogencarbonate; platinum In water at 23℃; for 144h; Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 25℃; Rate constant; also in presence Cu2α-cyclodextrin; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water-d2; acetone at 24.8℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), var. temperatures; |
| Conditions | Yield |
|---|---|
| at 160℃; |
| Conditions | Yield |
|---|---|
| With ethene; carbon monoxide In neat (no solvent) at 180°C; small amounts of CH3CH2COONa;; |
| Conditions | Yield |
|---|---|
| With Au-Pd/TiO2; oxygen; sodium hydroxide In water at 60℃; under 7500.75 Torr; Autoclave; |
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Consensus Reports
Specification
The Sodium propionate is an organic compound with the formula C3H5NaO2. The IUPAC name of this chemical is sodium propanoate. With the CAS registry number 137-40-6, it is also named as propanoic acid, sodium salt (1:1). The product's category is Food & Flavor Additives. Besides, it is a white powder, which should be stored in a closed and dry place. It is used as a food preservative and is represented by the food labeling E number E281 in Europe. It is used primarily as a mold inhibitor in bakery products.
Physical properties about Sodium propionate are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -0.54; (3)ACD/LogD (pH 7.4): -2.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.3; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å2; (12)Flash Point: 57.7 °C; (13)Enthalpy of Vaporization: 40.08 kJ/mol; (14)Boiling Point: 141.7 °C at 760 mmHg; (15)Vapour Pressure: 4.23 mmHg at 25°C.
Preparation: this chemical can be prepared by sodium carbonate and acid.
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Uses of Sodium propionate: it can be used to produce propionic acid anhydride. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CC
(2)InChI: InChI=1/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
(3)InChIKey: JXKPEJDQGNYQSM-REWHXWOFAH
(4)Std. InChI: InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
(5)Std. InChIKey: JXKPEJDQGNYQSM-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 6332mg/kg (6332mg/kg) | Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 28, Pg. 463, 1973. | |
| mouse | LD50 | unreported | 7800mg/kg (7800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 96, 1970. |
| rabbit | LD50 | skin | 1640mg/kg (1640mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
| rabbit | LD50 | unreported | 6750mg/kg (6750mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 96, 1970. |
| rat | LD50 | unreported | 8150mg/kg (8150mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 96, 1970. |