Dodecanol

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Catalog Number
ACM112538
Product Name
Dodecanol
Structure
Structure
CAS
112-53-8
Category
Alcohols
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
Molecular Weight
186.33
Molecular Formula
C12H26O
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
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