2-Isopropyl-5-methyl-2-hexenal Chemical Properties

Boiling point:

189 °C(lit.)

Density 

0.845 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.452(lit.)

FEMA 

3406 | 2-ISOPROPYL-5-METHYL-2-HEXENAL

Flash point:

145 °F

storage temp. 

-20°C, stored under nitrogen

form 

Liquid

color 

A colourless oily liquid

Odor

at 100.00 %. herbal lavender woody green blueberry tomato

Odor Type

herbal

biological source

synthetic

Sensitive 

Air Sensitive

JECFA Number

1215

BRN 

1752384

Major Application

flavors and fragrances

Cosmetics Ingredients Functions

PERFUMING

InChI

1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3

InChIKey

IOLQAHFPDADCHJ-UHFFFAOYSA-N

SMILES

[H]C(=O)C(=CCC(C)C)C(C)C

LogP

3.35

CAS DataBase Reference

35158-25-9(CAS DataBase Reference)

NIST Chemistry Reference

2-Isopropyl-5-methylhex-2-enal(35158-25-9)

EPA Substance Registry System

2-Hexenal, 5-methyl-2-(1-methylethyl)- (35158-25-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36

RIDADR 

1989

WGK Germany 

2

RTECS 

MP6450000

TSCA 

TSCA listed

HazardClass 

3

PackingGroup 

III

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

Toxicity

Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg

MSDS

• Language:English Provider:Isodihydro lavandulal
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Isopropyl-5-methyl-2-hexenal Usage And Synthesis

Description

The derivatives are concrete and absolute. The concrete is prepared in approximately 1.5 to 2.0% yields by solvent extraction (ben zene, petroleum ether) of the freshly cut flowering herb. It is a dark-green, viscous mass. An absolute is obtained in approxi mately 45% yields by distillation of the concrete with diethylene glycol.

Chemical Properties

2-Isopropyl-5-methyl-2-hexenal has a fruity, blueberry odor.

Occurrence

Reported found in cocoa

Preparation

By aldol condensation of isovaleraldehyde

Aroma threshold values

Aroma characteristics at 1.0%: woody, musty, nutshell-like, slightly floral and cooling with a honey and cocoa creamy nuance.

Taste threshold values

Taste characteristics at 10 ppm: woody, nutshell, cocoa hulls, thiazole-like creamy nuance and a fresh, fruity peachlike nuance.

General Description

2-Isopropyl-5-methyl-2-hexenal is a volatile aroma constituent of malted barley and roasted coffee beans. It can be formed via Maillard reaction between leucine and 3-methylbutanal.

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