The Myristic acid, with the CAS registry number 544-63-8,is also known as Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid. It belongs to the product categories of Monofunctional Alkanes;Saturated Higher Fatty Acids;Sensitizer. This chemical's molecular formula is C14H28O2 and molecular weight is 228.37.Its EINECS number is 208-875-2.What's more,Its systematic name is Myristic acid.It is a oily white crystalline solid which is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetic.It is irritating to eyes, respiratory system and skin .When you use it ,you should avoid contact with skin and eyes.And it is mainly used for production of surface-active agent,and it is used as a chemical reagent, but also for spices, and organic synthesis,and used in the manufacture of emulsifie,waterproof agent, curing agent, PVC heat stabilizers and plasticizers, etc., but also as raw materials of spices and pharmaceutical.
Physical properties about Myristic acid are:
(1)ACD/LogP: 5.792; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.00; (4)ACD/LogD (pH 7.4): 3.20; (5)ACD/BCF (pH 5.5): 2377.58; (6)ACD/BCF (pH 7.4): 38.15; (7)ACD/KOC (pH 5.5): 5395.99; (8)ACD/KOC (pH 7.4): 86.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 68.474 cm3; (14)Molar Volume: 254.256 cm3; (15)Surface Tension: 33.3349990844727 dyne/cm; (16)Density: 0.898 g/cm3; (17)Flash Point: 144.777 °C; (18)Enthalpy of Vaporization: 59.251 kJ/mol; (19)Boiling Point: 319.639 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CCCCCCCCCCCCCC(=O)O;
(2)Std. InChI:InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16);
(3)Std. InChIKey:TUNFSRHWOTWDNC-UHFFFAOYSA-N.
The toxicity data of Myristic acid are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
mouse | LD50 | intravenous | 43mg/kg (43mg/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. |