3,5,5-Trimethyl-1-hexanol

CAS NO.：3452-97-9
Empirical Formula: C9H20O
Molecular Weight: 144.25
MDL number: MFCD00036138
EINECS: 222-376-7
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-22 15:01:55

What is 3,5,5-Trimethyl-1-hexanol?

Chemical properties

Colorless liquid. Insoluble in water. Combustible.

Chemical properties

3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution.

Occurrence

Reported found in black currants (buds) and crab.

The Uses of 3,5,5-Trimethyl-1-hexanol

3,5,5-Trimethyl-1-hexanol can be used as a fragrance material and a flavoring agent for food.

The Uses of 3,5,5-Trimethyl-1-hexanol

Synthetic lubricants, additives to lubricating oils, wetting agent, softener in manufacture of various plastics, disinfectants and germicides.

What are the applications of Application

3,5,5-Trimethyl-1-hexanol is a primary alcohol reagent

Preparation

By oxo reaction of diisobutylene to the corresponding aldehyde, from which the alcohol is prepared by hydrogenation.

Production Methods

3,5,5-Trimethylhexanol is prepared from diisobutene by the oxo process. This alcohol is also a minor component of isononyl alcohol.

Definition

ChEBI: 3,5,5-Trimethyl-1-hexanol is an aliphatic alcohol.

Aroma threshold values

Aroma characteristics at 5.0%: green, floral, herbal, cooling, camphoreous, woody, melon and berry.

Taste threshold values

Taste characteristics at 10 ppm: green, cooling, herbal, woody, musty, berry, melon, with minty nuances.

General Description

3,5,5-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 Explosibility

Not classified

Properties of 3,5,5-Trimethyl-1-hexanol

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℃
refractive index	n20/D 1.432(lit.)
FEMA	3324 \| 3,5,5-TRIMETHYL-1-HEXANOL
Flash point:	178 °F
storage temp.	Sealed in dry,Room Temperature
form	clear liquid
pka	15.13±0.10(Predicted)
color	Colorless to Almost colorless
Odor	at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf
Water Solubility	450.1mg/L(20 ºC)
JECFA Number	268
CAS DataBase Reference	3452-97-9(CAS DataBase Reference)
NIST Chemistry Reference	1-Hexanol, 3,5,5-trimethyl-(3452-97-9)
EPA Substance Registry System	3,5,5-Trimethyl-1-hexanol (3452-97-9)

Safety information for 3,5,5-Trimethyl-1-hexanol

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P314:Get medical advice/attention if you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.