3,5,5-Trimethyl-1-hexanol

3,5,5-Trimethyl-1-hexanol Basic information
Product Name:3,5,5-Trimethyl-1-hexanol
Synonyms:3,5,5-Trimethylhexyl Alcohol;ISONONYL ALCOHOL, LINEAR;i-nonyl;i-nonylalcohol;Nonylol;Trimethyl-1-hexanol;Trimethylhexyl alcohol;3,5,5-TRIMETHYLHEXANOL (NONYL ALCOHOL) TECHNICAL
CAS:3452-97-9
MF:C9H20O
MW:144.25
EINECS:222-376-7
Product Categories:Alphabetical Listings;Flavors and Fragrances;Alcohols;C9 to C30;Oxygen Compounds;Q-Z
Mol File:3452-97-9.mol
3,5,5-Trimethyl-1-hexanol Structure
3,5,5-Trimethyl-1-hexanol Chemical Properties
Melting point 6.15°C (estimate)
Boiling point 193-194 °C (lit.)
density 0.824 g/mL at 25 °C (lit.)
vapor pressure 2hPa at 20℃
FEMA 3324 | 3,5,5-TRIMETHYL-1-HEXANOL
refractive index n20/D 1.432(lit.)
Fp 178 °F
storage temp. Sealed in dry,Room Temperature
pka15.13±0.10(Predicted)
form clear liquid
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf
Odor Typegreen
Water Solubility 450.1mg/L(20 ºC)
JECFA Number268
LogP3.7 at 25℃
CAS DataBase Reference3452-97-9(CAS DataBase Reference)
NIST Chemistry Reference1-Hexanol, 3,5,5-trimethyl-(3452-97-9)
EPA Substance Registry System3,5,5-Trimethyl-1-hexanol (3452-97-9)
Safety Information
Hazard Codes Xn,N,Xi
Risk Statements 36-51/53-52/53-22-36/38
Safety Statements 26-61-24/25
RIDADR UN 3082 9/PG 3
WGK Germany 2
HazardClass 9
PackingGroup III
HS Code 29051990
MSDS Information
ProviderLanguage
SigmaAldrich English
3,5,5-Trimethyl-1-hexanol Usage And Synthesis
Chemical PropertiesColorless liquid. Insoluble in water. Combustible.
Chemical Properties3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution.
OccurrenceReported found in black currants (buds) and crab.
Uses3,5,5-Trimethyl-1-hexanol can be used as a fragrance material and a flavoring agent for food.
UsesSynthetic lubricants, additives to lubricating oils, wetting agent, softener in manufacture of various plastics, disinfectants and germicides.
Production Methods3,5,5-Trimethylhexanol is prepared from diisobutene by the oxo process. This alcohol is also a minor component of isononyl alcohol.
PreparationBy oxo reaction of diisobutylene to the corresponding aldehyde, from which the alcohol is prepared by hydrogenation.
DefinitionChEBI: 3,5,5-Trimethyl-1-hexanol is an aliphatic alcohol.
Aroma threshold valuesAroma characteristics at 5.0%: green, floral, herbal, cooling, camphoreous, woody, melon and berry.
Taste threshold valuesTaste characteristics at 10 ppm: green, cooling, herbal, woody, musty, berry, melon, with minty nuances.
General Description3,5,5-Trimethyl-1-hexanol is a branched chain saturated alcohol that is commonly used as a fragrance ingredient. It occurs naturally in Lycii fructus.
Flammability and ExplosibilityNotclassified
3,5,5-Trimethyl-1-hexanol Preparation Products And Raw materials
Preparation ProductsN-NONYL ACRYLATE
3,5,5-Trimethyl-1-hexanol TRIMETHYLHEXANOL Methyl cyclopentenolone Trimethyl borate UVAOL Triamcinolone Prednisolone Hyodeoxycholic acid Hexaconazole Cytochalasin H Fluocinolone acetonide Ursolic acid METHYLCYCLOHEXANOL 2,2,6,6-Tetramethyl-4-piperidinol 1-Hexanol 3-Methyl butynol Fluoxymesterone 11ALPHA-HYDROXYPROGESTERONE

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