Allo Ocimene

Allo Ocimene
Compound Structure:
Synonyms: Alloocimene;2,6-Dimethyl-2,4,6-octatriene;ALLO-OCIMENE;(4E,6E)-Alloocimene;trans,trans-Alloocimene;(4E,6E)-Allocimene;(4E,6E)-2,6-dimethylocta-2,4,6-triene;(E,E)-2,6-Dimethyl-2,4,6-octatriene;2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-;2,4,6-Octatriene, 2,6
Compound ID: NMPC-567
PubChem ID:

5368821
Molecular Formula: C10H16
Canonical SMILES: CC=C(C)C=CC=C(C)C
InChIKey: GQVMHMFBVWSSPF-SOYUKNQTSA-N
About the compound:

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. 2,6-Dimethyl-2,4,6-octatriene is a natural product found in Curcuma amada, Psidium guajava..

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

136.23 g/mol

XLogP3-AA

4.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

2

Exact Mass

136.125200510 g/mol

Monoisotopic Mass

136.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

165

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid; [Sigma-Aldrich MSDS]
Source Species: Eremomastax speciosa
Tithonia rotundifolia
Eugenia uniflora
Eucalyptus torelliana
Morinda lucida
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