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| CAS No.: | 57-10-3 |
|---|---|
| Name: | Palmitic acid |
| Article Data: | 237 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C16H32O2 |
| Molecular Weight: | 256.429 |
| Synonyms: | Palmiticacid (7CI,8CI);1-Pentadecanecarboxylic acid;Cetylic acid;Edenor C16;Emersol 143;FA 1695;Hydrofol Acid 1690;Hystrene 9016;Kortacid 1695;Kortacid 1698;Loxiol EP 278;Lunac P 95;Lunac P 95KC;Lunac P 98;NAA 160;NSC 5030;Neo-Fat 16;PA 900;Pentadecanecarboxylic acid;Prifac 2960;Pristerene 4934;V 1695;n-Hexadecanoic acid;n-Hexadecoic acid; |
| EINECS: | 200-312-9 |
| Density: | 0.893 g/cm3 |
| Melting Point: | 61-62.5 °C(lit.) |
| Boiling Point: | 340.616 °C at 760 mmHg |
| Flash Point: | 154.12 °C |
| Solubility: | insoluble in water |
| Appearance: | white chips, crystals or powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/38 |
| Safety: | 26-37/39 |
| Transport Information: | N/A |
| PSA: | 37.30000 |
| LogP: | 5.55230 |
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The Palmitic Acid, with the CAS registry number 57-10-3 and EINECS registry number 200-312-9, has the systematic name of hexadecanoic acid. It is one of the most common saturated fatty acids found in animals and plants, and as its name indicates, it is a major component of the oil from palm trees. The molecular formula of this chemical is C16H32O2.
The physical properties of Palmitic Acid are as followings: (1)ACD/LogP: 6.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.015; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 14132.871; (6)ACD/BCF (pH 7.4): 226.73; (7)ACD/KOC (pH 5.5): 19322.664; (8)ACD/KOC (pH 7.4): 309.989; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 77.739 cm3; (15)Molar Volume: 287.269 cm3; (16)Polarizability: 30.818×10-24cm3; (17)Surface Tension: 33.382 dyne/cm; (18)Density: 0.893 g/cm3; (19)Flash Point: 154.12 °C; (20)Enthalpy of Vaporization: 61.657 kJ/mol; (21)Boiling Point: 340.616 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation and uses of Palmitic Acid: It can be prepared by fractionating fatty acid mixed such as rice bran oil, coconut oil, palm kernel oil in vacuum. It is usually used in the production of soap, candles, lubricants, emollients and synthetic detergents. It is also used as water repellent substance. What's more, it is used for preparing palmitate as well.
You should be cautious while dealing with this chemical. It irritates to eyes and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
(3)InChIKey: IPCSVZSSVZVIGE-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 57mg/kg (57mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | American Industrial Hygiene Association Journal. Vol. 37, Pg. 251, 1976. |
