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| CAS No.: | 544-63-8 |
|---|---|
| Name: | Myristic acid |
| Molecular Structure: | |
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| Formula: | C14H28O2 |
| Molecular Weight: | 228.375 |
| Synonyms: | Myristic acid (8CI);1-Tridecanecarboxylic acid;Edenor C 14;Emery 655;Hystrene9014;Kortacid 1499;LunacMY 98;NAA 104;NAA 142;NSC 5028;Neo-Fat 14;Philacid1400;Prifac 2942;Prifrac2942;Univol U 316S;n-Tetradecan-1-oic acid;n-Tetradecanoic acid;n-Tetradecoicacid;Tetradecanoicn acid; |
| EINECS: | 208-875-2 |
| Density: | 0.898 g/cm3 |
| Melting Point: | 52-54 °C(lit.) |
| Boiling Point: | 319.639 °C at 760 mmHg |
| Flash Point: | 144.777 °C |
| Solubility: | <0.1 g/100 mL at 18 °C in water |
| Appearance: | white solid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 37.30000 |
| LogP: | 4.77210 |
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| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-octane With magnesium In tetrahydrofuran; ethylene dibromide at 60℃; for 0.5h; Inert atmosphere; Stage #2: 6-bromohexanoic acid With 1-methyl-pyrrolidin-2-one; tert-butylmagnesium chloride In tetrahydrofuran at -78℃; for 0.166667h; Inert atmosphere; Stage #3: With buta-1,3-diene; nickel dichloride In tetrahydrofuran at 0℃; under 760.051 Torr; for 1h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With thiophene; aluminum tri-bromide for 1h; Ambient temperature; | 97.5% |
| Conditions | Yield |
|---|---|
| With thiophene; aluminum tri-bromide for 13h; Ambient temperature; | 95.5% |
- 16530-71-5
Ammonium myristate
- 544-63-8
n-tetradecanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water pH=2; | 95.3% |
- 13360-61-7
1-pentadecene
- 544-63-8
n-tetradecanoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; | 90% |
| Conditions | Yield |
|---|---|
| With thiophene; aluminum tri-bromide for 84h; Ambient temperature; | 87.5% |
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 2h; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; methyltrioxorhenium(VII); magnesium sulfate In acetonitrile for 8h; Heating; | 85% |
| Conditions | Yield |
|---|---|
| With niobium(V) oxide; water In neat (no solvent) for 20h; Reflux; Inert atmosphere; | 77% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide other reagents and conditions; | A n/a B n/a C 75% |
| Conditions | Yield |
|---|---|
| With peracetic acid; C24H29INO5 In acetic acid at 30℃; for 48h; | 75% |
| With Jones reagent In acetone at 20℃; |
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Consensus Reports
Specification
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. |