(E)-β-Ocimene
Compound Structure: |
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Synonyms: | OCIMENE;(E)-beta-ocimene;3779-61-1;(E)-3,7-Dimethylocta-1,3,6-triene;(3E)-3,7-dimethylocta-1,3,6-triene;trans-beta-Ocimene;1,3,6-Octatriene, 3,7-dimethyl-;13877-91-3;beta-Ocimene;trans-Ocimene | ||||||||||||||||||||||||||||||||||||||||||||||
Compound ID: | NMPC-050 | ||||||||||||||||||||||||||||||||||||||||||||||
PubChem ID: | |||||||||||||||||||||||||||||||||||||||||||||||
Molecular Formula: | C10H16 | ||||||||||||||||||||||||||||||||||||||||||||||
Canonical SMILES: | CC(=CCC=C(C)C=C)C | ||||||||||||||||||||||||||||||||||||||||||||||
InChIKey: | IHPKGUQCSIINRJ-CSKARUKUSA-N | ||||||||||||||||||||||||||||||||||||||||||||||
About the compound: | (E)-beta-ocimene is a specific type of beta-ocimene, characterized by its octa-1,3,6-triene structure with two methyl substituents at positions 3 and 7, in the 3E configuration. This compound serves as a plant metabolite and is a natural product found in various organisms, including Nepeta nepetella and Xylopia aromatica. Ocimenes are a group of isomeric hydrocarbons classified as monoterpenes, and they are commonly found in various plants and fruits. Within the ocimene group, there are three primary isomers: α-Ocimene (cis-3,7-dimethyl-1,3,7-octatriene): It features a terminal double bond. β-Ocimene (trans-3,7-dimethyl-1,3,6-octatriene): It has a double bond in a non-terminal position. β-Ocimene itself exists in two stereoisomeric forms, cis and trans, concerning the central double bond. The ocimenes are often found naturally as mixtures of these various forms. They are typically oily substances with a pleasant odor and are known for their sweet herbal scent. Ocimenes are used in perfumery for their fragrance and are believed to serve as a defense mechanism in plants, as well as possessing anti-fungal properties. However, like many terpenes, ocimenes are unstable in the presence of air. The name "ocimene" is derived from the plant genus name "Ocimum," which comes from the Ancient Greek word for basil, "ὤκιμον" (ṓkimon). GHS Hazard Statements • H226 (97.67%): Flammable liquid and vapor [Warning Flammable liquids] • H304 (30.23%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] • H319 (67.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] • H335 (67.44%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] • H400 (32.56%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] • H410 (30.23%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] • H411 (32.56%): 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
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Source Species: |
Gmelina arborea Greenwayodendron suaveolens Heeria insignis Monodora tenuifolia Ocimum basilicum Tithonia diversifolia Cymbopogon citratus Araucaria cunninghamii Brachystegia eurycoma Eucalyptus tereticornis Tagetes erecta Centratherum punctatum Murraya Koenigii Plumeria alba |