12-Hydroxyoctadecanoic Acid

• CAS: 106-14-9
• Catalog Number: ACM106149
• Category: Fatty Acids and Ester Homologs
• Molecular Weight: 300.48
• Molecular Formula: C18H36O3
• Description: 12-Hydroxystearic Acid is used in edible vegetable oils and organogels.
• Synonyms: Octadecanoic Acid, 12-Hydroxy-
• IUPAC Name: 12-hydroxyoctadecanoic acid
• Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O
• InChI: InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
• InChI Key: ULQISTXYYBZJSJ-UHFFFAOYSA-N
• Boiling Point: 436.3 °C at 760 mmHg
• Melting Point: 80-81 ºC
• Flash Point: 231.8±17.7 °C
• Density: 0.9±0.1 g/cm3
• Appearance: White powder
• Storage: Room temperature
• CNo.Chain: C18:0
• Compound Derivative: Acid
• EC Number: 203-366-1
• Fatty Acid: 12-Hydroxystearic
• Hazard Codes: Xi
• HS Code: 2942000000
• LogP: 5.30330
• MDL Number: MFCD00004592
• Physical State: Solid
• PSA: 57.53
• Refractive Index: 1.468
• Storage Conditions: -20ºC
• WGK Germany: 3

Synthetic Use

Downstream Synthesis Route 1

• 64-17-5
• 106-14-9

• 74815-67-1

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2004/89869, 2004, A1
Location in patent: Page 14-15; 17; 18; 19; 20; 22
[2]Thoms; Deckert
[Berichte der Deutschen Pharmazeutischen Gesellschaft, vol. 31, p. 23][Chemisches Zentralblatt, 1921, vol. 92, # I, p. 489]

Downstream Synthesis Route 2

• 106-14-9

• 123-99-9
• 693-23-2

Reference: [1]Asahina; Takimoto
[Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1929, vol. 49, p. 1023; dtsch. Ref. S. 157][Chem.Abstr., 1930, p. 1346]
[2]Hall; Reid
[Journal of the American Chemical Society, 1943, vol. 65, p. 1467]
Current Patent Assignee: DUPONT DE NEMOURS INC - US2269998, 1940, A
[3]Current Patent Assignee: I.G. Farbenind. - DE745642, 1939, C
[DRP/DRBP Org.Chem.][DRP/DRBP Org.Chem.]

Downstream Synthesis Route 3

• 106-14-9

• 1852-04-6

Reference: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1929,vol. 49,p. 1023; dtsch. Ref. S. 157
Chem.Abstr.,1930,p. 1346
[2]Advanced Synthesis and Catalysis,2014,vol. 356,p. 1782 - 1788

* For details of the synthesis route, please refer to the original source to ensure accuracy.