Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Dodecanoic acid, hexylester |
EINECS | 251-932-1 |
CAS No. | 34316-64-8 | Density | 0.864 g/cm3 |
PSA | 26.30000 | LogP | 6.03080 |
Solubility | N/A | Melting Point |
-3.4 °C |
Formula | C18H36O2 | Boiling Point | 334.7 °C at 760 mmHg |
Molecular Weight | 284.483 | Flash Point | 158.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Lauricacid, hexyl ester (6CI,7CI,8CI);Cetiol A;Crodamol HL-R;Hexyl dodecanoate;Hexyl laurate;KAK-HL;Standamul CTA;n-Hexyl laurate; |
Article Data | 19 |
Conditions | Yield |
---|---|
With carbon dioxide at 46.02℃; under 66081.6 Torr; for 3.5h; Reagent/catalyst; High pressure; Supercritical conditions; Green chemistry; | 97% |
Conditions | Yield |
---|---|
With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA) In n-heptane at 80℃; for 4h; | 93% |
With 2,2,6,6-tetramethylpiperidinium triflate In neat liquid at 120℃; for 9h; Green chemistry; | 93% |
With toluene-4-sulfonic acid; 1-octyl-3-methylimidazolium tetrafluoroborate at 80℃; for 1h; | 90% |
Conditions | Yield |
---|---|
With SO3H and NH2+ functional carbon-based solid acid at 80℃; for 8h; | 93% |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 158 - 160℃; |
Conditions | Yield |
---|---|
With Lipase enzyme preparation In benzene Ambient temperature; Lipases catalyzed transesterification; |
Conditions | Yield |
---|---|
With Lipase enzyme preparation In benzene Ambient temperature; Lipases catalyzed transesterification; |
ethyl laurate
tributyl-(hexyloxy)-tin
A
lauric acid hexyl ester
B
tributyltin ethoxide
Conditions | Yield |
---|---|
With lipase catalyst In benzene refluxing (8 h, azeotropic removal of water); not isolated, IR spectroscopy; |
Conditions | Yield |
---|---|
With induced mycelium-bound lipase from Aspergillus niger MYA 135 In hexane; acetone at 37℃; for 1h; Reagent/catalyst; Enzymatic reaction; |
Conditions | Yield |
---|---|
With cerium(IV) oxide at 160℃; for 24h; | A n/a B 85 %Chromat. |
1.Introduction of Dodecanoic acid, hexylester
The Dodecanoic acid, hexylester, with the CAS registry number of 34316-64-8, is also known as Hexyl laurate and Lauric acid hexyl ester. Its EINECS registry number is 251-932-1. This chemical's molecular formula is C18H36O2 and molecular weight is 284.47724. What's more, its IUPAC name is Hexyl dodecanoate.
2.Physical properties about Dodecanoic acid, hexylester
(1)ACD/LogP: 8.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.15; (4)ACD/LogD (pH 7.4): 8.15; (5)ACD/BCF (pH 5.5): 916023.13; (6)ACD/BCF (pH 7.4): 916023.13; (7)ACD/KOC (pH 5.5): 644319.94; (8)ACD/KOC (pH 7.4): 644319.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 87.21 cm3; (15)Molar Volume: 329.1 cm3; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.864 g/cm3; (18)Flash Point: 158.5 °C; (19)Enthalpy of Vaporization: 57.77 kJ/mol; (20)Boiling Point: 334.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000126 mmHg at 25 °C.
3. Structure descriptors of Dodecanoic acid, hexylester
(1) SMILES: O=C(OCCCCCC)CCCCCCCCCCC
(2) InChI: InChI=1/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3
(3) InChIKey: CMBYOWLFQAFZCP-UHFFFAOYAL