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

3,5,5-Trimethyl-hexan-1-ol
Names
	IUPAC name 3,5,5-Trimethyl-1-hexanol
	Other names Nonylol ; Trimethylhexanol
Identifiers
CAS Number	3452-97-9;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:178388;
ChemSpider	17881;
ECHA InfoCard	100.020.343
EC Number	222-376-7;
MeSH	3,5,5-trimethyl-1-hexanol
CompTox Dashboard (EPA)	DTXSID7029661 ;
	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−1
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)	4.12·10−5 atm m3 / mol
Hazards
	GHS labelling:
Pictograms
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 [77 °F], 100 kPa). Infobox references

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.^[1]

References

1 2 3 4 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.
↑ 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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[McGinty-1] 1 2 3 4 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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