OCIMENE Chemical Properties

Melting point:

-27.17°C (estimate)

Boiling point:

65-66 °C/13 mmHg

Density 

0.818 g/mL at 20 °C(lit.)

vapor pressure 

2.207hPa at 24℃

refractive index 

n20/D 1.485

FEMA 

3539 | 3,7-DIMETHYL-1,3,6-OCTATRIENE

Flash point:

38 °C

storage temp. 

2-8°C

solubility 

Chloroform: Slightly Soluble; Methanol: Slightly Soluble

form 

An oil

Specific Gravity

0.80

color 

Colorless to light yellow

Odor

at 100.00 %. citrus tropical green terpene woody green

Odor Type

floral

Water Solubility 

14.5mg/L at 24℃

JECFA Number

1338

BRN 

1736172

LogP

5.4 at 25℃

EPA Substance Registry System

1,3,6-Octatriene, 3,7-dimethyl- (13877-91-3)

Safety Information

Risk Statements 

10

Safety Statements 

16

RIDADR 

UN2319 3/PG 3

WGK Germany 

3

OCIMENE Usage And Synthesis

Description

β-Ocimene is a monoterpene that has been found in a variety of plants and is a volatile compound involved in plant-plant signaling and plant defense against pests. It is emitted by tea (C. sinensis) plants in response to a jasmonic acid combined with mechanical damage (JAMD) model of herbivore attack. β-Ocimene reduces the number of winged aphids (M. persicae) that settle on Chinese cabbage and the feeding time and number of nymphs produced by aphids on leaves. The aphid endoparasitoid A. gifuensis demonstrates a preference for β-ocimene-treated Chinese cabbage over control plants in a wind tube two-choice test. β-Ocimene (100-1,000 ppm) also has antioxidant activity in a thiobarbituric acid reactive substances (TBARS) assay.

Chemical Properties

3,7-Dimethyl-1,3,6-octatrine has a warm herbaceous odor.

Occurrence

Reported found in black currants, currant leaves, mentha pulegium oil, origanum oil, passion fruit, citrus peel oils, guava, strawberry jam, cinnamon bark, Thymus vulgaris, hop oil, tea, soybean, parsnips, tarragon, origanum, Ocimum basilicum, curcuma, ouzo and pimento berry

Uses

Deuterium labelled analog of β-Ocimene, which is a monoterpenes found naturally in a variety of fruits and plants. It is also a product of linalool (L465950) reaction in the presence of Amberlyst-15 resin. The mixture of this compound, as well as its pure form, are oils with a pleasant odors, and thus can be used in fragrance, and perfumery industry.

Preparation

1) By thermal rearrangement of Pinene (type of pyrolysis).
2) Ocimene can also be prepared from Lina- lool.

Definition

ChEBI: (E)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite.

Taste threshold values

Taste characteristics at 40 ppm: green, tropical, woody with floral and vegetable nuances.

Flammability and Explosibility

Flammable

Synthesis

One-step synthesis of trans-beta-ocimene

OCIMENE(13877-91-3)Related Product Information

• HEPSED
• (±)-2,2-Dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, Ocimene quintoxide,OCIMENE QUINTOXIDE
• Ocimene, A110,cis-Allo-ocimene,allo-3,7-dimethyl-1,3,6-octatriene (allo-ocimene),neo-allo-3,7-dimethyl-1,3,6-octatriene (neo-allo-ocimene)
• OCIMENE MIXTURE OF ISOMERS
• FARNESENE
• OCIMENE
• NEO-ALLOOCIMENE, STAB.
• 5(6)-CR6G
• thiotetromycin
• 5-[3-(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1-ethyl-1,2,5,6-tetrahydro-4-methylnicotinonitrile
• (E)-β-Ocimene,(E)-β-ocimene,trans-β-ocimene,ocimene
• THIOLACTOMYCIN
• alpha-Ocimene
• α-ocimene,3,7-dimethyl-1,3,7-octatriene,2,6-dimethyl-1,5,7-octatriene,α-ocimene,ocimene
• ALLOOCIMENE DIOXIDE 5G [R]
• TRANS-OCIMENE
• TRANS-BETA-OCIMENE
• trans-Allo-ocimene