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3,5,5-Trimethyl-hexan-1-ol

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3,5,5-Trimethyl-hexan-1-ol
Names
IUPAC name 3,5,5-Trimethyl-1-hexanol
Other names Nonylol
Trimethylhexanol
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.020.343 Edit this at Wikidata
EC Number
  • 222-376-7
MeSH 3,5,5-trimethyl-1-hexanol
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
SMILES
  • CC(CCO)CC(C)(C)C
Properties
Chemical formula C9H20O
Molar mass 144.258 g·mol
Appearance Clear liquid
Odor herbaceous, plant-like
Density 0.824 g/mL
Melting point -70 °C
Boiling point 194.0 °C
Solubility in water 0.45 g/L
Solubility Soluble in alcohol, acetone, ester
Vapor pressure 0.2 torr
Henry's law
constant (kH) 		4.12·10 atm m / mol
Hazards
GHS labelling:
Pictograms GHS08: Health hazard GHS07: Exclamation mark GHS09: Environmental hazard
Signal word Warning
Hazard statements H227, H315, H319, H373, H411
Precautionary statements P210, P260, P264, P273, P280, P302+P352, P305+P351+P338, P314, P332+P313, P337+P313, P362, P370+P378, P391, P403+P235, P501
Flash point 80°C
Related compounds
Related compounds Isononyl alcohol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

3,5,5-Trimethyl-1-hexanol is a nine carbon primary alcohol, and it makes up the mixture isononanol along with isononyl alcohol. It is used for fragrance in many toiletries and household cleaning products. Between one and ten metric tonnes are produced every year for use as a fragrance.

References

  1. ^ McGinty, D.; Scognamiglio, J.; Letizia, C. S.; Api, A. M. (2010-07-01). "Fragrance material review on 3,5,5-trimethyl-1-hexanol". Food and Chemical Toxicology. A Safety Assessment of Saturated Branched Chain Alcohols when used as Fragrance Ingredients. 48: S47–S50. doi:10.1016/j.fct.2010.05.026. ISSN 0278-6915. PMID 20659634.
  2. Lee, G. H.; Shin, Y.; Oh, M. J. (2008). "Aroma-active components of Lycii fructus (kukija)". Journal of Food Science. 73 (6): C500–505. doi:10.1111/j.1750-3841.2008.00851.x. ISSN 0022-1147. PMID 19241541.
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