O-Eugenol

C₁₀H₁₂O₂CAS 579-60-2164.20 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Density: 1.0904 g/mL (at 20 °C)
Melting point: 81 °C
Boiling point: 250.5 °C
logP: 2.13Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed69.5% of notifiers
H315 Causes skin irritation29.7% of notifiers
H317 May cause an allergic skin reaction30.5% of notifiers
H319 Causes serious eye irritation30.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled29.7% of notifiers
H335 May cause respiratory irritation29.7% of notifiers

Aggregated from 128 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

579-60-2

SMILES

C=CCc1cccc(OC)c1O

InChIKey

LREHGXOCZVBABG-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3

Weigh it out

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

Names and synonyms

12 names

Phenol, 2-methoxy-6-(2-propen-1-yl)-
Phenol, 2-allyl-6-methoxy-
Phenol, 2-methoxy-6-(2-propenyl)-
Guaiacol, 6-allyl-
2-Methoxy-6-(2-propen-1-yl)phenol
6-Allyl-2-methoxyphenol
o-Allylguaiacol
2-Allyl-6-methoxyphenol
2-Hydroxy-3-methoxy-1-allylbenzene
NSC 406351
2-Methoxy-6-prop-2-enylphenol
6-Allylguaiacol

Reactions

o-Eugenolproduct

Work with O-Eugenol

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

2-Hydroxy-3-methoxybenzenemethanol4383-05-561 % similar Syringol91-10-156 % similar Methoxyeugenol6627-88-955 % similar 2-Hydroxy-3-methoxyphenylacetonitrile42973-56-855 % similar 3-Allylsalicylaldehyde24019-66-753 % similar 3-Methoxycatechol934-00-950 % similar Eugenol97-53-048 % similar ortho-Vanillin148-53-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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