2,6-DIMETHYL-2,4,6-OCTATRIENE Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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

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.]