Dodecanol

• CAS: 112-53-8
• Catalog Number: ACM112538
• Category: Alcohols; Fatty Alcohols
• Molecular Weight: 186.33
• Molecular Formula: C12H26O
• Description: Dodecanol is a colorless thick liquid with a sweet odor. Floats on water. Freezing point is 75°F. (USCG, 1999);Liquid; OtherSolid, Liquid; WetSolid;Liquid;Liquid;Solid;COLOURLESS LIQUID OR WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.;Colourless liquid above 21?°, fatty odour
• Synonyms: 1-Hydroxydodecane
• IUPAC Name: dodecan-1-ol
• Canonical SMILES: CCCCCCCCCCCCO
• InChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
• InChI Key: LQZZUXJYWNFBMV-UHFFFAOYSA-N
• Boiling Point: 260-262 °C (lit.)
• Melting Point: 22-26 °C (lit.)
• Flash Point: 260 °F (USCG, 1999);260 °F (127 °C) (Closed cup);121 °C c.c.
• Density: 0.831 at 75.2 °F (USCG, 1999);0.8309 at 24 °C/4 °C;0.8309 AT 24 °C/4 °C;Density (at 24 °C): 0.83 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00;0.830-0.836
• Solubility: 2.15e-05 M;0.004 mg/mL at 25 °C;In water, 4 mg/L at 25 °C;Soluble in ethanol, ether; slightly soluble in benzene;Soluble in two parts of 70% alcohol;SOL IN ALCOHOL & ETHER; INSOL IN WATER;Insoluble;Solubility in water, g/l at 25 °C: 0.004 (very poor);soluble in most fixed oils, propylene glycol; insoluble in glycerin, water;1 ml in 3 ml 70% alcohol; remains clear to 10 ml (in ethanol)
• Appearance: Solid
• Storage: Room temperature
• Alcohol: Lauryl
• Autoignition Temperature: 527 °F (USCG, 1999);527 °F (275 °C);250 °C
• CNo.Chain: C12:0
• Color/Form: Leaflets from dilute alcohol;COLORLESS LIQ AT ROOM TEMP; CRYSTALLINE OR FLAKES BELOW 20 °C;Colorless solid;CRYSTALLINE SOLID
• Complexity: 81.2
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and fumes.
• EC Number: 203-982-0;278-306-0;271-359-0
• Exact Mass: 186.198365g/mol
• Formal Charge: 0
• Hazard Statements: Xi,N
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heat of Vaporization: 90.8 kJ/mol at 25 °C
• Heavy Atom Count: 13
• ICSC Number: 1765
• LogP: 5.13 (LogP);5.13;log Kow = 5.13;5.13;5.4
• Monoisotopic Mass: 186.198365g/mol
• NSC Number: 3724
• Odor: CHARACTERISTIC FATTY ODOR; UNPLEASANT AT HIGH CONCN BUT DELICATE & FLORAL ON DILUTION;Fatty repulsive odor
• Other Experimental: BP: 235.7 °C at 400 mm Hg; 213 °C at 200 mm Hg; 192 °C at 100 mm Hg; 177.8 °C at 60 mm Hg; 167.2 °C at 40 mm Hg; 150 °C at 20 mm Hg; 134.7 °C at 10 mm Hg; 120.2 °C at 5 mm Hg; 91.0 °C at 1.0 mm Hg;Congealing point greater than 21 °C; acid value not more than 1;Conversion factor: 1 mg/L= 131.3 ppm; 1 ppm= 7.62 mg/cu m at 25 °C, 760 mm Hg;Index of refraction: 0.8201 at 40 °C/4 °C; 0.7781 at 99 °C/4 °C;Liquid molar volume = 0.224405 cu m/kmol;Heat of formation = -4.4426X10+8 J/kmol;Heat of fusion = 3.1380X10+7 J/kmol (at melting pt);Henry's Law constant = 5.186X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.8X10-11 cu cm/molec-sec at 25 °C (est);CONVERSION FACTORS: 1 MG/L= 131.3 PPM; 1 PPM= 7.62 MG/CU M AT 25 °C, 760 MM HG
• Physical State: Solid
• Refractive Index: Index of refraction: 0.8309 at 24 °C/4 °C (liq);INDEX OF REFRACTION: 1.4400-1.4440 AT 20 °C/D;1.440-1.444
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 10
• RTECS Number: JR5775000
• Safety Description: 61-37/39-29-26-60-36
• Supplemental Hazard Statements: H319-H410-H315-H400-H320-H371
• Symbol: GHS07,GHS08,GHS09
• UNII: 178A96NLP2
• UN Number: 3077
• Vapor Density: 6.43 (AIR= 1);Relative vapor density (air = 1): 6.4
• Vapor Pressure: 8.48e-04 mmHg;8.48X10-4 mm Hg at 25 °C;1 MM HG AT 91 °C;Vapor pressure, Pa at 24 °C: 1.3
• Viscosity: 18.8 mPa-s at 20 °C;21.7 mm2/s at 20 °C
• XLogP3: 5.1

Custom Q&A

What is the molecular formula of dodecyl alcohol?

The molecular formula of dodecyl alcohol is C12H26O.

What is the molecular weight of dodecyl alcohol?

The molecular weight of dodecyl alcohol is 186.33 g/mol.

What is the IUPAC name of dodecyl alcohol?

The IUPAC name of dodecyl alcohol is dodecan-1-ol.

What is the InChI of dodecyl alcohol?

The InChI of dodecyl alcohol is InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3.

What is the InChIKey of dodecyl alcohol?

The InChIKey of dodecyl alcohol is LQZZUXJYWNFBMV-UHFFFAOYSA-N.

What is the canonical SMILES of dodecyl alcohol?

The canonical SMILES of dodecyl alcohol is CCCCCCCCCCCCO.

What is the CAS number of dodecyl alcohol?

The CAS number of dodecyl alcohol is 112-53-8.

What is the UNII of dodecyl alcohol?

The UNII of dodecyl alcohol is 178A96NLP2.

What is the FEMA number of dodecyl alcohol?

The FEMA number of dodecyl alcohol is 2617.

What is the Wikipedia page for dodecyl alcohol?

The Wikipedia page for dodecyl alcohol is "Dodecanol".

Synthetic Use

Upstream Synthesis Route 1

• 1120-16-7

• 112-53-8

Reference: [1]Monatshefte fur Chemie,1904,vol. 25,p. 348

Downstream Synthesis Route 1

• 112-53-8

• 59227-89-3

Reference: [1] JAOCS, Journal of the American Oil Chemists' Society, 1996, vol. 73, # 7, p. 847 - 850

Downstream Synthesis Route 2

• 112-53-8

• 7057-92-3

Reference: [1] Patent: US2010/94020, 2010, A1, . Location in patent: Page/Page column 17

Downstream Synthesis Route 3

• 112-53-8
• 770-12-7

• 7057-92-3

Reference: [1] Journal of the Chemical Society, 1955, p. 1584,1585

Downstream Synthesis Route 4

• 112-53-8
• 149-91-7

• 1166-52-5

Reference: [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 656 - 671

Downstream Synthesis Route 5

• 112-53-8
• 35388-10-4

• 1166-52-5

Reference: [1]Recueil des Travaux Chimiques des Pays-Bas,1951,vol. 70,p. 277,281

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