1-octanol

Structural formula
General
Surname	1-octanol
other names	1-octanol; n- octanol; Octan-1-ol; Octyl alcohol; Caprylic alcohol; CAPRYLYL ALCOHOL ( INCI ) ;
Molecular formula	C 8 H 18 O
Brief description	colorless liquid
External identifiers / databases
EC number	203-917-6
ECHA InfoCard	100.003.561
PubChem	957
DrugBank	DB12452
Wikidata	Q161666
properties
Molar mass	130.23 g mol −1
Physical state	liquid
density	0.817 g cm −3 (20 ° C)
Melting point	−16 ° C
boiling point	195 ° C
Vapor pressure	0.031 h Pa (20 ° C); 0.11 hPa (30 ° C)); 0.9 hPa (50 ° C));
solubility	very bad in water (0.54 g l −1 at 25 ° C)
Refractive index	1.4295 (20 ° C)
safety instructions
GHS labeling of hazardous substances Caution
H and P phrases	H: 319-412
	P: 273-305 + 351 + 338
MAK	DFG / Switzerland: 10 ml m −3 or 54 mg m −3
	As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

1-Octanol (short octanol or octanol ) is a chemical compound from the group of aliphatic alcohols . It is also a primary alcohol. In addition to 1-octanol, there are other isomers of octanol, for example 2-octanol , 3-octanol and 4-octanol .

properties

1-Octanol is a clear, colorless liquid with a characteristic odor that boils at 195 ° C under normal pressure . According to Antoine, the vapor pressure function results from log ₁₀ (P) = A− (B / (T + C)) (P in bar, T in K) with A = 6.47682, B = 2603.359 and C = −48.799 in the temperature range from 293 to 353 K and with A = 3.74844, B = 1196.639 and C = −149.043 in the temperature range from 352.1 to 468.5 K. Above the flash point temperature, the compound forms flammable vapor-air mixtures. It has a flash point of 81 ° C. The lower explosion limit (LEL) is 0.8 vol.% (43 g / m ³ ). According to the vapor pressure function, the result is a lower explosion point of 77.5 ° C and an upper explosion point of 107 ° C. The limit gap width was determined to be 0.95 mm. This results in an assignment to explosion group IIA. The ignition temperature is 245 ° C. The substance therefore falls into temperature class T3. The solubility of water in 1-octanol is 48.9 mg g ⁻¹ at 298.15 K.

use

1-Octanol is processed into esters that are used as fragrances . With the octanol / water partition coefficient , which is used in environmental chemistry , ecotoxicology and pharmacokinetics to estimate the behavior of a substance, 1-octanol represents the natural organic phase.

Individual evidence

↑ Entry on CAPRYLYL ALCOHOL in the CosIng database of the EU Commission, accessed on February 25, 2020.
↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m ⁿ ^o ^p ^q Entry on 1-octanol in the GESTIS substance database of the IFA , accessed on January 5, 2018(JavaScript required) .
↑ AFM Barton: Alcohols with Water. In: International Union of Pure and Applied Chemistry. Solubility Data Series. Volume 15, 1984, p. 438.
↑ David R. Lide (Ed.): CRC Handbook of Chemistry and Physics . 90th edition. (Internet version: 2010), CRC Press / Taylor and Francis, Boca Raton, FL, Physical Constants of Organic Compounds, pp. 3-404.
↑ G. Geiseler, J. Fruwert, R. Hüttig: vapor pressure and vibration behavior of the positional n-octanols and hydroxydeuterierten n-octanols. In: Chem. Ber. 99, 1966, pp. 1594-1601, doi: 10.1002 / cber.19660990525 .
^ HR Kemme, SI Kreps: Vapor pressure of primary n-alkyl chlorides and alcohols. In: J. Chem. Eng. Data . 14, 1969, pp. 98-102, doi: 10.1021 / je60040a011 .
↑ ^a ^b ^c ^d E. Brandes, W. Möller: Safety-related parameters. Volume 1: Flammable Liquids and Gases. Wirtschaftsverlag NW - Verlag für neue Wissenschaft, Bremerhaven 2003.
^ E. Brandes, M. Mitu, D. Pawel: The lower explosion point - A good measure for explosion prevention: Experiment and calculation for pure compounds and some mixtures. In: J. Loss Prev. Proc. Ind. 20, 2007, pp. 536-540, doi: 10.1016 / j.jlp.2007.04.028 .
↑ Brian E Lang: Solubility of Water in octane-1-ol from (275 to 369) K . In: Journal of Chemical and Engineering Data . tape 57 , no. 8 , 2012, p. 2221–2226 , doi : 10.1021 / je3001427 .

[CosIng-1] Entry on CAPRYLYL ALCOHOL in the CosIng database of the EU Commission, accessed on February 25, 2020.

[GESTIS-2] ↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m ⁿ ^o ^p ^q Entry on 1-octanol in the GESTIS substance database of the IFA , accessed on January 5, 2018(JavaScript required) .

[3] AFM Barton: Alcohols with Water. In: International Union of Pure and Applied Chemistry. Solubility Data Series. Volume 15, 1984, p. 438.

[CRC90_3_404-4] David R. Lide (Ed.): CRC Handbook of Chemistry and Physics . 90th edition. (Internet version: 2010), CRC Press / Taylor and Francis, Boca Raton, FL, Physical Constants of Organic Compounds, pp. 3-404.

[Geiseler-5] G. Geiseler, J. Fruwert, R. Hüttig: vapor pressure and vibration behavior of the positional n-octanols and hydroxydeuterierten n-octanols. In: Chem. Ber. 99, 1966, pp. 1594-1601, doi: 10.1002 / cber.19660990525 .

[Kemme-6] HR Kemme, SI Kreps: Vapor pressure of primary n-alkyl chlorides and alcohols. In: J. Chem. Eng. Data . 14, 1969, pp. 98-102, doi: 10.1021 / je60040a011 .

[Brandes-7] E. Brandes, W. Möller: Safety-related parameters. Volume 1: Flammable Liquids and Gases. Wirtschaftsverlag NW - Verlag für neue Wissenschaft, Bremerhaven 2003.

[Brandes2007-8] E. Brandes, M. Mitu, D. Pawel: The lower explosion point - A good measure for explosion prevention: Experiment and calculation for pure compounds and some mixtures. In: J. Loss Prev. Proc. Ind. 20, 2007, pp. 536-540, doi: 10.1016 / j.jlp.2007.04.028 .

[LANG-9] Brian E Lang: Solubility of Water in octane-1-ol from (275 to 369) K . In: Journal of Chemical and Engineering Data . tape 57 , no. 8 , 2012, p. 2221–2226 , doi : 10.1021 / je3001427 .