3,5,5-TRIMETHYLHEXANAL

Synonym(s):Green hexanal

CAS NO.：5435-64-3
Empirical Formula: C9H18O
Molecular Weight: 142.24
MDL number: MFCD00010441
EINECS: 226-603-0
SAFETY DATA SHEET (SDS)
Update Date: 2026-05-28 02:47:29

What is 3,5,5-TRIMETHYLHEXANAL?

Chemical properties

3,5,5-Trimethylhexanal has an aldehydic odor.

The Uses of 3,5,5-TRIMETHYLHEXANAL

3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide.

The Uses of 3,5,5-TRIMETHYLHEXANAL

3,5,5-Trimethylhexanal has been suggested for use in perfume compositions as a very powerful masking agent. In extreme dilution, its odor is generally considered pleasant, but the opinion is not unanimous. It has found extensive use as the main active ingredient in various types of masking odors, room fresheners, deodorizers, etc. It is relatively stable against oxidation and polymerization, but it will produce intensely yellow colored condensation products with Anthranilates, darker with Quinolines or Indoles. However, it is rarely used in connection with those materials, more often with alifatic aldehydes, Monoterpenes, Pine fragrance materials, etc.

Preparation

From diisobutylene via the oxo reaction.

Definition

ChEBI: 3,5,5-Trimethylhexanal is a fatty aldehyde.

Flammability and Explosibility

Flammable

Properties of 3,5,5-TRIMETHYLHEXANAL

Melting point:	-18°C (estimate)
Boiling point:	67-68 °C/2.5 mmHg (lit.)
Density	0.817 g/mL at 25 °C (lit.)
vapor pressure	2.7hPa at 20℃
FEMA	3524 \| 3,5,5-TRIMETHYLHEXANAL
refractive index	n20/D 1.421(lit.)
Flash point:	116 °F
storage temp.	Inert atmosphere,Store in freezer, under -20°C
form	clear liquid
color	Colorless to Light yellow
Specific Gravity	0.822
Odor	at 10.00 % in dipropylene glycol. aldehydic dry grassy weedy green citrus fatty natural
Water Solubility	100mg/L at 20℃
JECFA Number	269
CAS DataBase Reference	5435-64-3(CAS DataBase Reference)
EPA Substance Registry System	Hexanal, 3,5,5-trimethyl- (5435-64-3)

Safety information for 3,5,5-TRIMETHYLHEXANAL

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H317:Sensitisation, Skin H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water.