Basic Information | Post buying leads | Suppliers |
Name |
2-Hydroxypropyl 16-methylheptadecanoate |
EINECS | 269-027-5 |
CAS No. | 68171-38-0 | Density | 0.908 g/cm3 |
PSA | 46.53000 | LogP | 6.02780 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H42O3 | Boiling Point | 443.7 °C at 760 mmHg |
Molecular Weight | 342.5564 | Flash Point | 164.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propylene glycol isostearate; |
The 2-Hydroxypropyl 16-methylheptadecanoate, with the CAS registry number of 68171-38-0, is also known as Propylene glycol isostearate. Its EINECS registry number is 269-027-5. Its molecular formula is C21H42O3 and molecular weight is 342.5564.
Physical properties about the 2-Hydroxypropyl 16-methylheptadecanoate are: (1)ACD/LogP: 8.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8.01; (5)ACD/BCF (pH 5.5): 723975.81; (6)ACD/BCF (pH 7.4): 723975.81; (7)ACD/KOC (pH 5.5): 544452.5; (8)ACD/KOC (pH 7.4): 544452.5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 102.56 cm3; (15)Molar Volume: 376.9 cm3; (16)Surface Tension: 33 dyne/cm; (17)Density: 0.908 g/cm3; (18)Flash Point: 164.7 °C; (19)Enthalpy of Vaporization: 80.95 kJ/mol; (20)Boiling Point: 443.7 °C at 760 mmHg; (21)Vapour Pressure: 9.74E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(O)C)CCCCCCCCCCCCCCC(C)C
(2) InChI: InChI=1/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-18-20(3)22/h19-20,22H,4-18H2,1-3H3
(3) InChIKey: BJRXGOFKVBOFCO-UHFFFAOYAP