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Myristyl myristate

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Myristyl myristate

EINECS 221-787-9
CAS No. 3234-85-3 Density 0.859 g/cm3
Solubility Melting Point
Formula C28H56O2 Boiling Point 462.2 °C at 760 mmHg
Molecular Weight 424.74 Flash Point 240.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 3234-85-3 (Tetradecanoic acid,tetradecyl ester) Hazard Symbols
Synonyms

Myristicacid, tetradecyl ester (7CI,8CI);1-Tetradecanol, myristate;Alkamuls MM/M;Ceraphyl 424;Cetiol MM;Crodamol MM;Cyclochem MM;Exceparl MY-M;Liponate MM;Tetradecyl myristate;Tetradecyl tetradecanoate;Myristyl myristate;

 

Myristyl myristate Specification

Myristyl myristate has the IUPAC Name of Tetradecyl tetradecanoate and it is also called Myristic acid myristyl ester; Alkamuls mm/m; Ceraphyl 424; Ceraphyl424; Cetiol mm; Crodamol mm; Cyclochem mM. The extinguishing agent of Myristyl myristate (CAS NO.3234-85-3) are dry powder, foam, sand, carbon dioxide, water mist.  Myristyl myristate can be used in organic synthesis.

Physical properties about Myristyl myristate are: (1)ACD/LogP: 13.013; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.01; (4)ACD/LogD (pH 7.4): 13.01; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00 ; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 26; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 133.544 cm3; (13)Molar Volume: 494.207 cm3; (14)Polarizability: 52.941 10-24cm3; (15)Surface Tension: 31.5049991607666 dyne/cm; (16)Density: 0.859 g/cm3; (17)Flash Point: 240.825 °C; (18)Enthalpy of Vaporization: 72.319 kJ/mol; (19)Boiling Point: 462.191 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3;
(2)InChIKey=DZKXJUASMGQEMA-UHFFFAOYSA-N;
(3)SmilesCCCCCCCCCCCCCCOC(CCCCCCCCCCCCC)=O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 14400mg/kg (14400mg/kg)   Journal of the American College of Toxicology. Vol. 9(2), Pg. 247, 1990.

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