beta-Ocimene, (3Z)-
| Compound Structure: |
-β-Ocimene.png)
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| Synonyms: | (Z)-BETA-OCIMENE; cis-beta-Ocimene;cis-Ocimene;(3Z)-3,7-dimethylocta-1,3,6-triene;(Z)-3,7-Dimethylocta-1,3,6,-triene;1,3,6-Octatriene, 3,7-dimethyl-, (Z)-;beta-Ocimene, (3Z)-;beta-cis-Ocimene | ||||||||||||||||||||||||||||||||||||||||||
| Compound ID: | NMPC-075 | ||||||||||||||||||||||||||||||||||||||||||
| PubChem ID: | |||||||||||||||||||||||||||||||||||||||||||
| Molecular Formula: | C10H16 | ||||||||||||||||||||||||||||||||||||||||||
| Canonical SMILES: | CC(=CCC=C(C)C=C)C | ||||||||||||||||||||||||||||||||||||||||||
| InChIKey: | VMUNAKQXJLHODT-VAWYXSNFSA-N | ||||||||||||||||||||||||||||||||||||||||||
| About the compound: | (Z)-beta-Ocimene is a member of the ocimene group, specifically a beta-ocimene, and it consists of octa-1,3,6-triene with two methyl substituents located at positions 3 and 7, making it the 3Z-isomer. In plants, it serves as a metabolite. This natural compound, (Z)-beta-Ocimene, can be found in various organisms, including Xylopia sericea and Eupatorium cannabinum. Ocimenes are a group of isomeric hydrocarbons that fall within the category of monoterpenes and are present in a variety of plants and fruits. There are three primary isomers: α-ocimene, and two β-ocimenes that differ in the position of the isolated double bond. α-Ocimene is cis-3,7-dimethyl-1,3,7-octatriene, while β-Ocimene is trans-3,7-dimethyl-1,3,6-octatriene. Within the group of β-Ocimenes, there are two stereoisomeric forms, the cis and trans isomers, with respect to the central double bond. These compounds are often found naturally as mixtures of these various forms. Ocimenes, both in their mixture and pure forms, are oily substances with a pleasant odor, making them valuable in perfumery for their sweet herbal scent. Additionally, they are believed to act as a defense mechanism in plants and possess anti-fungal properties. Similar to other terpenes, ocimenes are nearly insoluble in water but soluble in common organic solvents. They have a tendency to be unstable in the presence of air. GHS Hazard Statements • H226 (99.44%): Flammable liquid and vapor [Warning Flammable liquids] • H304 (99.44%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] • H315 (15.08%): Causes skin irritation [Warning Skin corrosion/irritation] • H400 (14.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] • H410 (14.25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] • H411 (14.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
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| Properties: |
Chemical and Physical Properties
Source: PubChem |
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| Source Species: |
Greenwayodendron suaveolens Tagetes erecta |