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.)

Flash point:

178 °F

storage temp. 

Sealed in dry,Room Temperature

pka

15.13±0.10(Predicted)

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf

Odor Type

green

Water Solubility 

450.1mg/L(20 ºC)

JECFA Number

268

LogP

3.7 at 25℃

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

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

• Language:English Provider:SigmaAldrich

3,5,5-Trimethyl-1-hexanol Usage And Synthesis

Chemical Properties

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

Chemical Properties

Colorless liquid. Insoluble in water. Combustible.

Occurrence

Reported found in black currants (buds) and crab.

Uses

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

Uses

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

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

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