2-Octanol

2-Octanol
Names
	Preferred IUPAC name Octan-2-ol
	Other names 2-Octanol; 2-Octyl alcohol; 1-Methyl-1-heptanol; sec-Capryl alcohol; Methylhexylcarbinol; sec-Caprylic alcohol
Identifiers
CAS Number	123-96-6 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1719322
ChEBI	CHEBI:37869;
ChEMBL	ChEMBL510068;
ChemSpider	18920;
ECHA InfoCard	100.004.244
EC Number	204-667-0;
Gmelin Reference	131016
PubChem CID	20083;
RTECS number	RH0795000;
UNII	66B0DD5E40 ;
CompTox Dashboard (EPA)	DTXSID0027014 ;
	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 CC(O)CCCCCC;
Properties
Chemical formula	C8H18O
Molar mass	130.231 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)	1.23·10−4 atm-m3/mol
Refractive index (nD)	1.426 (20 °C)
Viscosity	6.2 cP
Thermochemistry
Heat capacity (C)	330.1 (J/mol*K) (298.5K)
Hazards
	Occupational safety and health (OHS/OSH):
Eye hazards	2
Skin hazards	2
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315, H319, H411, H412
Precautionary statements	P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P305+P351+P338, P370+P378, P391, P403+P235, P501
NFPA 704 (fire diamond)	1 2 0
Flash point	71 °C (160 °F; 344 K)
Autoignition; temperature	265 °C (509 °F; 538 K)
Explosive limits	0.8 % v/v (lower); 7.4 % v/v (upper)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	>3.2 g/kg (rat, oral); 4 g/kg (mouse, oral)
Safety data sheet (SDS)	Flinn Scientific
	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 an organic compound with the chemical formula CH₃CH(OH)(CH₂)₅CH₃. It is a colorless oily liquid that is poorly soluble in water but soluble in most organic solvents. 2-Octanol is classified fatty alcohol. A secondary alcohol, it is chiral.

Names

Preferred IUPAC name Octan-2-ol
Other names 2-Octanol 2-Octyl alcohol 1-Methyl-1-heptanol sec-Capryl alcohol Methylhexylcarbinol sec-Caprylic alcohol
Identifiers
CAS Number	123-96-6^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1719322
ChEBI	CHEBI:37869
ChEMBL	ChEMBL510068
ChemSpider	18920
ECHA InfoCard	100.004.244
EC Number	204-667-0
Gmelin Reference	131016
PubChem CID	20083
RTECS number	RH0795000
UNII	66B0DD5E40^Y
CompTox Dashboard (EPA)	DTXSID0027014
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 CC(O)CCCCCC
Properties
Chemical formula	C₈H₁₈O
Molar mass	130.231 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 (k_H)	1.23·10⁻⁴ atm-m³/mol
Refractive index (n_D)	1.426 (20 °C)
Viscosity	6.2 cP
Thermochemistry
Heat capacity (C)	330.1 (J/mol*K) (298.5K)
Hazards
Occupational safety and health (OHS/OSH):
Eye hazards	2
Skin hazards	2
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315, H319, H411, H412
Precautionary statements	P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P305+P351+P338, P370+P378, P391, P403+P235, P501
NFPA 704 (fire diamond)	1 2 0
Flash point	71 °C (160 °F; 344 K)
Autoignition temperature	265 °C (509 °F; 538 K)
Explosive limits	0.8 % v/v (lower) 7.4 % v/v (upper)
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	>3.2 g/kg (rat, oral) 4 g/kg (mouse, oral)
Safety data sheet (SDS)	Flinn Scientific
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references