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| CAS No.: | 110-27-0 |
|---|---|
| Name: | Isopropyl myristate |
| Molecular Structure: | |
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| Formula: | C17H34O2 |
| Molecular Weight: | 270.456 |
| Synonyms: | Bisomel;Stepan D-50;propan-2-yl tetradecanoate;Tegester;Kessco isopropyl myristate;Emerest 2314;Myristic acid, isopropyl ester;IPM-R;Plymoutm IPM;iso-Propyl Myristate;Isopropyl myristate (NF);Ja-fa IPM;1-Tridecanecarboxylic acid, isopropyl ester;Estol IPM 1512;Isopropyl tetradecanoate;Tetradecanoic acid, isopropyl ester;Tetradecanoic acid,esters,1-methylethyl ester;Estergel (TN);component of Sardo Bath Oil;Wickenol 101;Estergel;Unimate IPM;Sinnoester MIP;Kesscomir;Isomyst;Tetradecanoic acid, isopropyl;Promyr;Isopropylmyristate;Myristic acid isopropyl ester; |
| EINECS: | 203-751-4 |
| Density: | 0.864 g/cm3 |
| Melting Point: | -5 °C |
| Boiling Point: | 319.9 °C at 760 mmHg |
| Flash Point: | 144.1 °C |
| Solubility: | Miscible with alcohol. Immiscible with water and glycerol. |
| Appearance: | colourless liquid of low viscosity |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 5.63910 |
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| Conditions | Yield |
|---|---|
| With cesium 12-tungstophosphate at 130℃; under 7500.75 Torr; for 2h; Reagent/catalyst; Autoclave; | 87.1% |
- 67-63-0
isopropyl alcohol
- 112-64-1
tetradecanoyl chloride
- 110-27-0
Tetradecanoic acid 1-methylethyl ester
| Conditions | Yield |
|---|---|
| With pyridine |
| Conditions | Yield |
|---|---|
| With ammonia; magnesium methanolate In methanol at 80℃; under 1275.13 Torr; for 24h; Inert atmosphere; | 99% |
| With magnesium nitride In methanol at 80℃; for 24h; | 79% |
- 27778-35-4
(R)-2,4-Dihydroxy-3,3-dimethylbutyramide
- 110-27-0
Tetradecanoic acid 1-methylethyl ester
- 285141-00-6
(R)-2,2,5,5-Tetramethyl-1,3-dioxane-4-carboxamide
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In dichloromethane at 20℃; | 97% |
| Conditions | Yield |
|---|---|
| Stage #1: Tetradecanoic acid 1-methylethyl ester With diisobutylaluminium hydride In hexane; dichloromethane at -78℃; for 3h; Inert atmosphere; Stage #2: With ammonia; iodine In tetrahydrofuran; hexane; dichloromethane; water at -78 - 20℃; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| With thiophene; aluminum tri-bromide for 84h; Ambient temperature; | 87.5% |
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 2h; |
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Consensus Reports
Specification
The Isopropyl myristate is an organic compound with the formula C17H34O2. The IUPAC name of this chemical is propan-2-yl tetradecanoate. With the CAS registry number 110-27-0, it is also named as Tetradecanoic acid 1-methylethyl ester. The product's classification codes are Drug / Therapeutic Agent; Pharmaceutic aid [emollient]; Skin / Eye Irritant. Besides, it is colourless liquid of low viscosity, which should be stored in a closed cool and dry place. It is used in cosmetic and topical medicinal preparations where good absorption through the skin is desired. It is also used as a pesticide-free treatment against head lice which works by dissolving the wax that covers the exoskeleton of head lice, killing them by dehydration. It is also the non-aqueous component of the two-phase mouthwash, Dentyl pH, where it removes bacteria from the oral cavity.
Physical properties about Isopropyl myristate are: (1)ACD/LogP: 7.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.43; (4)ACD/LogD (pH 7.4): 7.43; (5)ACD/BCF (pH 5.5): 261982.92; (6)ACD/BCF (pH 7.4): 261982.92; (7)ACD/KOC (pH 5.5): 263011.25; (8)ACD/KOC (pH 7.4): 263011.25; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 82.54 cm3; (14)Molar Volume: 313 cm3; (15)Polarizability: 32.72×10-24cm3; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 0.864 g/cm3; (18)Flash Point: 144.1 °C; (19)Enthalpy of Vaporization: 56.15 kJ/mol; (20)Boiling Point: 319.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000329 mmHg at 25°C.
Preparation: this chemical can be prepared by tetradecanoic acid and propan-2-ol. This reaction will need reagent acid activated Indian bentonite and solvent toluene. The reaction time is 8 hours by heating. The yield is about 43%.
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Uses of Isopropyl myristate: it can be used to produce tetradecanoic acid at ambient temperature. It will need reagent AlBr3, tetrahydrothiophene (THT) with reaction time of 84 hours. The yield is about 87.5%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)CCCCCCCCCCCCC
(2)InChI: InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
(3)InChIKey: AXISYYRBXTVTFY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
(5)Std. InChIKey: AXISYYRBXTVTFY-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | > 25mL/kg (25mL/kg) | German Offenlegungsschrift Patent Document. Vol. #2703360, | |
| mouse | LD50 | oral | 49700mg/kg (49700mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990. | |
| mouse | LD50 | subcutaneous | > 50200mg/kg (50200mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990. | |
| rabbit | LD50 | skin | 5gm/kg (5000mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990. | |
| rat | LC | inhalation | > 41gm/m3/1H (41000mg/m3) | Journal of the American College of Toxicology. Vol. 11, Pg. 43, 1992. | |
| rat | LD50 | intraperitoneal | > 79500mg/kg (79500mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990. | |
| rat | LDLo | oral | > 16gm/kg (16000mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990. |
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