Octadecanol

• CAS: 112-92-5
• Catalog Number: ACM112925
• Category: Fatty Alcohols
• Molecular Weight: 270.46
• Molecular Formula: C18H38O
• Description: Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid; PelletsLargeCrystals, OtherSolid;Solid;Solid;COLOURLESS-TO-WHITE SLIGHTLY WAXY FLAKES OR LEAFLETS.
• Synonyms: Stearic alcohol
• IUPAC Name: octadecan-1-ol
• Canonical SMILES: CCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
• InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N
• Boiling Point: 170-171 °C 2 mmHg
• Melting Point: 56-59 °C (lit.)
• Flash Point: 392 °F (200 °C) (Closed cup);170 °C
• Density: 0.8124 at 59 °C/4 °C;Relative density (water = 1): 0.81 (liquid)
• Solubility: 4.07e-09 M;1.1e-06 mg/mL at 25 °C;Soluble in alcohol, ether, benzene, acetone;Soluble in chloroform; slightly soluble in acetone, benzene;In water, 1.1X10-3 mg/L at 25 °C;1.1e-06 mg/mL at 25 °C;Solubility in water: none
• Appearance: Solid
• Storage: Room temperature
• Alcohol: Stearyl
• Autoignition Temperature: 842 °F (450 °C);450 °C
• CNo.Chain: C18:0
• Color/Form: Leaflets from ethanol;Unctuous white flakes or granules
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and fumes.
• EC Number: 204-017-6;272-778-1
• Exact Mass: 270.292266g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 19
• ICSC Number: 1610
• LogP: 8.22
• Monoisotopic Mass: 270.292266g/mol
• NSC Number: 5379
• Odor: Faint
• Other Experimental: Faint characteristic odor & bland taste /stearyl alcohol usp/;SOLUBLE IN VEGETABLE OILS /STEARYL ALCOHOL USP/;Liquid molar volume = 0.33572 cu m/kmol;Heat of fusion at melting point = 7.4057X10+7 J/kmol (for the gamma phase, no selection of the alpha phase, crystal I can be made).;MP: 59.4 to 59.8 °C; BP: 210 °C at 15 mm Hg (pure substance);Vapor pressure = 0.1 mm Hg @ 125 °C;Henry's Law constant = 8.4X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.7X10-11 cu cm/molec-sec at 25 °C (est)
• Physical State: Solid
• Rotatable Bond Count: 16
• RTECS Number: RG2010000
• UNII: 2KR89I4H1Y
• Vapor Pressure: 2.70e-06 mmHg;2.7X10-6 mm Hg at 25 °C (est);Vapor pressure, Pa at 150 °C: 133
• XLogP3: 8.4

Synthetic Use

Upstream Synthesis Route 1

• 112-95-8
• 629-97-0
• 630-01-3
• 593-45-3
• 646-31-1
• 630-02-4
• 638-68-6

• 112-92-5
• 629-96-9
• 593-50-0
• 661-19-8
• 506-51-4
• 506-52-5
• 557-61-9

Reference: [1] Patent: WO2005/123639, 2005, A1, . Location in patent: Page/Page column 11-12

Upstream Synthesis Route 2

• 112-95-8
• 629-97-0
• 630-01-3
• 629-50-5
• 593-45-3
• 646-31-1
• 630-02-4
• 638-68-6

• 112-92-5
• 629-96-9
• 593-50-0
• 661-19-8
• 506-51-4
• 506-52-5
• 557-61-9

Reference: [1] Patent: WO2005/123639, 2005, A1, . Location in patent: Page/Page column 11-12

Downstream Synthesis Route 1

• 112-92-5

• 3386-33-2

Reference: [1] Patent: US2006/205987, 2006, A1, . Location in patent: Page/Page column 6

Downstream Synthesis Route 2

• 112-92-5
• 79-41-4

• 32360-05-7

Reference: [1]Journal of Polymer Science,1959,vol. 38,p. 209,210-212
Chem.Abstr.,1960

Downstream Synthesis Route 3

• 112-92-5

• 3386-33-2

Reference: [1]Patent: US2006/205987,2006,A1 .Location in patent: Page/Page column 6

Downstream Synthesis Route 4

• 112-92-5

• 2885-00-9

Reference: [1]Khan, Ashna A.; Chee, Stephanie H.; Stocker, Bridget L.; Timmer, Mattie S. M.
[European Journal of Organic Chemistry, 2012, # 5, p. 995 - 1002]

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