2,6-DIMETHYL-2,4,6-OCTATRIENE Chemical Properties

Melting point:

-25.5°C

Boiling point:

73-75 °C/14 mmHg (lit.)

Density 

0.811 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.542(lit.)

Flash point:

156 °F

storage temp. 

2-8°C

Odor

at 100.00 %. sweet floral nut skin peppery herbal tropical

Odor Type

floral

BRN 

1719993

LogP

4.392 (est)

CAS DataBase Reference

673-84-7(CAS DataBase Reference)

EPA Substance Registry System

2,4,6-Octatriene, 2,6-dimethyl- (673-84-7)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

23-24/25

RIDADR 

1993

WGK Germany 

3

RTECS 

RH2010000

F 

10-23

HazardClass 

3.2

PackingGroup 

III

MSDS

• Language:English Provider:SigmaAldrich

2,6-DIMETHYL-2,4,6-OCTATRIENE Usage And Synthesis

Aroma

Diffusive, fresh-gassy, herbaceous odor. The gassy notes are more predominant in poorer grades of Allo-ocimene, almost imperceptible in good grade matl. Useful in low-cost fragrances for industrial purposes, and in general as a lifting topnote, modifier for Limonene, etc. cheaper than Ocimene.

Chemical Properties

Clear, almost colorless liquid. Polymerizes and oxidizes readily. Combustible.

Uses

Component of varnishes and a variety of polymers; fragrance.

Definition

ChEBI: (4E,6E)-2,6-dimethylocta-2,4,6-triene is an ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). It has a role as a semiochemical.

General Description

2,6-Dimethyl-2,4,6-octatriene (allo-ocimene) is one of the major constituents of Fissistigma maclurei Merr. It was identified in Alphanso mangoes using GC-MS.

Synthesis

Ocimene is produced by the flash pyrolysis or photochemical isomerization of a-pinene.

Solubility in organics

Colorless mobile liquid. Soluble in alcohol (when fresh and unpolymerized), poorly soluble when polymerized. Insoluble in water. Miscible with essential oils and perfume chemicals.

Purification Methods

Fractionally distil allocimene through an efficient column and repeatedly distil it at 15mm through a long column of glass helices, with a final distillation from sodium under nitrogen. It should be stabilised with ca 0.1% of hydroquinone. UV: max nm( 
1cm-1) 290 (32 500), 279 (41 900) and 278 (42,870). [Alder et al. Justus Liebigs Ann Chem 609 1 1957, O’Connor & Goldblatt Anal Chem 26 1726 1954, Beilstein 1 IV 1106.]

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