2-Ethylhexanol

2-Ethylhexanol
Names
	Preferred IUPAC name 2-Ethylhexan-1-ol
	Other names isooctyl alcohol, 2-ethylhexanol
Identifiers
CAS Number	104-76-7 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1719280
ChEBI	CHEBI:16011 ;
ChEMBL	ChEMBL31637 ; ChEMBL1229918 ;
ChemSpider	7434 ; 5360145 R ; 5360146 S ;
ECHA InfoCard	100.002.941
EC Number	203-234-3;
KEGG	C02498 ;
MeSH	2-ethylhexanol
PubChem CID	7720; 6991979 R; 6991980 S;
UNII	XZV7TAA77P ;
CompTox Dashboard (EPA)	DTXSID5020605 ;
	InChI InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N ;
	SMILES CCCCC(CC)CO;
Properties
Chemical formula	C8H18O
Molar mass	130.231 g·mol−1
Appearance	Colourless liquid
Density	833 mg mL−1
Melting point	−76 °C (−105 °F; 197 K)
Boiling point	180 to 186 °C; 356 to 367 °F; 453 to 459 K
log P	2.721
Vapor pressure	30 Pa (at 20 °C)
Refractive index (nD)	1.431
Thermochemistry
Heat capacity (C)	317.5J K−1 mol−1
Std molar; entropy (S⦵298)	347.0 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−433.67–−432.09 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−5.28857–−5.28699 MJ mol−1
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Mildly toxic
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H302, H312, H315, H318, H335
Precautionary statements	P261, P280, P305+P351+P338
Flash point	81 °C (178 °F; 354 K)
Autoignition; temperature	290 °C (554 °F; 563 K)
Explosive limits	0.88–9.7%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1.97 g kg−1 (dermal, rabbit); 3.73 g kg−1 (oral, rat);
	NIOSH (US health exposure limits):
PEL (Permissible)	none
REL (Recommended)	TWA 50 ppm (270 mg/m3) [skin]
IDLH (Immediate danger)	N.D.
Related compounds
Related alkanol	Propylheptyl alcohol
Related compounds	2-Methylhexane; 3-Methylhexane; Valnoctamide; 2-Methylheptane; 3-Methylheptane; Valpromide; 2-Ethylhexanoic acid;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

2-Ethylhexanol (abbreviated 2-EH) is an organic compound with formula C₈H₁₈O. It is a branched, eight-carbon chiral alcohol. It is a colorless liquid that is poorly soluble in water but soluble in most organic solvents. It is produced on a large scale (>2,000,000,000 kg/y) for use in numerous applications such as solvents, flavors, and fragrances and especially as a precursor for production of other chemicals such as emollients and plasticizers. It is encountered in plants, fruits, and wines. The odor has been reported as "heavy, earthy, and slightly floral" for the R enantiomer and "a light, sweet floral fragrance" for the S enantiomer.

This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.