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

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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]

3,5,5-Trimethyl-hexan-1-ol
Names
IUPAC name
3,5,5-Trimethyl-1-hexanol
Other names
Nonylol
Trimethylhexanol [1]
Identifiers
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
  • InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
  • CC(CCO)CC(C)(C)C
Properties
C9H20O
Molar mass 144.258 g·mol−1
Appearance Clear liquid
Odor herbaceous, plant-like [2]
Density 0.824 g/mL
Melting point -70 °C
Boiling point 194.0 °C
0.45 g/L
Solubility Soluble in alcohol, acetone, ester
Vapor pressure 0.2 torr [1]
4.12·10−5 atm m3 / mol [1]
Hazards
GHS labelling:
GHS08: Health hazard GHS07: Exclamation mark GHS09: Environmental hazard
Warning
H227, H315, H319, H373, H411
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).

References

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  1. ^ a b c d 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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