Product Name

  • Name

    hexyl laurate

  • EINECS 251-932-1
  • CAS No. 34316-64-8
  • Article Data19
  • CAS DataBase
  • Density 0.864 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 34316-64-8 (hexyl laurate)
  • Hazard Symbols
  • Synonyms Lauricacid, hexyl ester (6CI,7CI,8CI);Cetiol A;Crodamol HL-R;Hexyl dodecanoate;Hexyl laurate;KAK-HL;Standamul CTA;n-Hexyl laurate;
  • PSA 26.30000
  • LogP 6.03080

Synthetic route

vinyl laurate
2146-71-6

vinyl laurate

hexan-1-ol
111-27-3

hexan-1-ol

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With carbon dioxide at 46.02℃; under 66081.6 Torr; for 3.5h; Reagent/catalyst; High pressure; Supercritical conditions; Green chemistry;97%
lauric acid
143-07-7

lauric acid

hexan-1-ol
111-27-3

hexan-1-ol

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
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%
methyl n-dodecanoate
111-82-0

methyl n-dodecanoate

hexan-1-ol
111-27-3

hexan-1-ol

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With SO3H and NH2+ functional carbon-based solid acid at 80℃; for 8h;93%
1-Decene
872-05-9

1-Decene

1-hexyl acetate
142-92-7

1-hexyl acetate

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With di-tert-butyl peroxide at 158 - 160℃;
ethyl laurate
106-33-2

ethyl laurate

hexan-1-ol
111-27-3

hexan-1-ol

A

ethanol
64-17-5

ethanol

B

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With Lipase enzyme preparation In benzene Ambient temperature; Lipases catalyzed transesterification;
ethyl laurate
106-33-2

ethyl laurate

tributyl-(hexyloxy)-tin
62774-20-3

tributyl-(hexyloxy)-tin

A

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

B

EtOSnBu3

EtOSnBu3

Conditions
ConditionsYield
With Lipase enzyme preparation In benzene Ambient temperature; Lipases catalyzed transesterification;
ethyl laurate
106-33-2

ethyl laurate

tributyl-(hexyloxy)-tin
62774-20-3

tributyl-(hexyloxy)-tin

A

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

B

tributyltin ethoxide
682-00-8

tributyltin ethoxide

Conditions
ConditionsYield
With lipase catalyst In benzene refluxing (8 h, azeotropic removal of water); not isolated, IR spectroscopy;
p-Nitrophenyl laurate
1956-11-2

p-Nitrophenyl laurate

hexan-1-ol
111-27-3

hexan-1-ol

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With induced mycelium-bound lipase from Aspergillus niger MYA 135 In hexane; acetone at 37℃; for 1h; Reagent/catalyst; Enzymatic reaction;
methyl n-dodecanoate
111-82-0

methyl n-dodecanoate

hexan-1-ol
111-27-3

hexan-1-ol

A

methanol
67-56-1

methanol

B

lauric acid hexyl ester
34316-64-8

lauric acid hexyl ester

Conditions
ConditionsYield
With cerium(IV) oxide at 160℃; for 24h;A n/a
B 85 %Chromat.

Dodecanoic acid, hexylester Specification

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

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