2-octanol

2-Octanol

Names
IUPAC name Octan-2-ol
Other names 2-Octanol 2-Octyl alcohol 1-Methyl-1-heptanol Capryl alcohol Methylhexylcarbinol sec-Caprylic alcohol
Identifiers
CAS Number	123-96-6 Y
3D model (Jmol)	Interactive image
ChemSpider	1892
ECHA InfoCard	100.004.244
EC Number	204-667-0
PubChem CID	1968
UNII	66B0DD5E40 Y
InChI InChI=1S/C20H30N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1,3-4,7-8,10-11,13-16,19-20,28-30H,2,5-6,21H2,(H,34,35)(H,36,37)(H2,22,23,24)(H2,31,32,33) Key: IMPUPYZMUDSKSF-UHFFFAOYSA-N InChI=1/C20H30N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1,3-4,7-8,10-11,13-16,19-20,28-30H,2,5-6,21H2,(H,34,35)(H,36,37)(H2,22,23,24)(H2,31,32,33) Key: IMPUPYZMUDSKSF-UHFFFAOYAA
SMILES c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)N)O)O)O)OP(=O)(O)O)N
Properties
Chemical formula	C8H18O
Molar mass	130.23 g·mol−1
Appearance	Colourless liquid with characteristic odour
Density	0.820 7 (g/cm3) (20°C)
Melting point	−38 °C (−36 °F; 235 K)
Boiling point	178.5 °C (353.3 °F; 451.6 K)
Solubility in water	1.120 g/L
log P	2.9
Vapor pressure	0.031 mbar (20 °C) 0.11 mbar (30 °C) 0.9 mbar (50 °C)
Henry's law constant (kH)	1.23E-04 atm-m3/mol)
Refractive index (nD)	1.426 (20 °C)
Viscosity	6.2 cP
Thermochemistry
Specific heat capacity (C)	330.1 (J/mol*K) (298.5K)
Hazards
GHS hazard statements	H315, H319, H412
EU classification (DSD)	Directive 1999/45/EC
R-phrases	R36/38, R52/53
Eye hazard	2
Skin hazard	2
Flash point	71 °C (160 °F; 344 K)
Autoignition temperature	265 °C (509 °F; 538 K)
Explosive limits	0.8 vol. % - 7,4 vol.%
Lethal dose or concentration (LD, LC):
LD50 (median dose)	>3.2 g/kg (rat, oral) 4 g/kg (mouse, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

2-Octanol (octan-2-ol, 2-OH) is a fatty alcohol. It is a secondary eight-carbon chiral compound. 2-Octanol is a colorless liquid that is poorly soluble in water but soluble in most organic solvents.

It is used such as or as a raw material in various applications: flavors and fragrances, paints and coatings, inks, adhesives, home care, lubricants and fuels. 2-Octanol can be a biobased alternative of 2-ethylhexanol and its derivates in numerous applications.

2-Octanol is produced from castor oil through a cracking process. It is created as a by-product of sebacic acid manufacturing. Nowadays, India and China are the key producing countries of castor oil. Consequently, the majority of 2-Octanol production comes from these two countries: China & India.

2-Octanol is mainly used as:

It can also be used as a chemical intermediate for production of various other chemicals: