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OCIMENE

OCIMENE structure

CAS No:
13877-91-3
Formula:
C10H16
Chemical Name:
OCIMENE
Synonyms:
Ocimene, ≥90%;cis/trans-Ocimene solution;3,6-Octatriene,3,7-dimethyl-1;6-octatriene,3,7-dimethyl-3;ocimene,mixtureofisomers;OCIMENE;OCIMENE MIXTURE OF ~70% CIS-OCIMEN AND 25% LIMONEN;mixtureof~70%cis-ocimenand25%limonen
Categories:
Cosmetic Ingredient > Perfuming

Description

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

Colourless to straw-coloured mobile liquid; warm herbaceous aroma

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 endoparasitoidA. gifuensisdemonstrates 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.

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.

OCIMENE Basic Attributes

Molecular Weight：

136.23

Exact Mass：

136.23

BRN：

1736172

EC Number：

237-641-2

TSCA：

TSCA listed

DSSTox ID：

DTXSID70274135

Color/Form：

Colorless to light yellow

HScode：

2901299090

Characteristics

PSA：

XLogP3：

4.70

Appearance：

colourless clear liquid

Density：

0.818 g/mL at 20 °C(lit.)

Melting Point：

-27.17°C (estimate)

Boiling Point：

65-66 °C/13 mmHg

Flash Point：

38 °C

Refractive Index：

n20/D 1.485

Water Solubility：

14.5mg/L at 24℃

Storage Conditions：

2-8°C

Vapor Pressure：

2.207hPa at 24℃

Flammability characteristics：

Flammable

Odor：

at 100.00 %. citrus tropical green terpene woody green

OH：

2.52e-10 cm3/molecule*sec

Henrys Law Constant：

4.0×10-4mol/(m3Pa) at 25℃, Copolovici and Niinemets (2005)

Critical Temperature & Pressure：

2-8°C

Safety Information

Transport codes：

UN23193/PG3

wgk germany：

hazard class code：

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P273, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

RIDADR：

UN2319 3/PG 3

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 1772 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

beta-ocimene

OCIMENE Use and Manufacturing

Uses

Air care products

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.

Production

< 25,000 lb

Manufacturing Info：

1,3,6-Octatriene, 3,7-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:136.23
XLogP3:4.3
Rotatable Bond Count:3
Exact Mass:136.125200510
Monoisotopic Mass:136.125200510
Heavy Atom Count:10
Complexity:155
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 13877-91-3

Grade: Food Grade

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Guide of OCIMENE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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OCIMENE

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