Allo-Ocimene

C₁₀H₁₆CAS 673-84-7136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8085 g/mL (at 25 °C)
Boiling point: 112–113 °C
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor80.8% of notifiers
H302 Harmful if swallowed> 99.9% of notifiers
H304 May be fatal if swallowed and enters airways97.4% of notifiers
H315 Causes skin irritation97.4% of notifiers
H317 May cause an allergic skin reaction82.4% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H411 Toxic to aquatic life with long lasting effects80.7% of notifiers

Aggregated from 1,598 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

673-84-7

SMILES

CC=C(C)C=CC=C(C)C

InChIKey

GQVMHMFBVWSSPF-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

2,4,6-Octatriene, 2,6-dimethyl-
Alloocimene
2,6-Dimethyl-2,4,6-octatriene
NSC 406263

Work with Allo-Ocimene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methylhepta-3,5-dien-2-one1604-28-044 % similar 2-Methyl-2-butene513-35-941 % similar 3-Methyl-1,3-pentadiene4549-74-038 % similar trans-2-Methyl-2-butenal497-03-038 % similar 2,5-Dimethyl-2,4-hexadiene764-13-638 % similar Lycopene502-65-837 % similar Crocetin27876-94-435 % similar 3-Methyl-2-butenal107-86-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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