Olivetol

C₁₁H₁₆O₂CAS 500-66-3180.25 g/mol

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Properties

Molecular formula: C₁₁H₁₆O₂
Molar mass: 180.25 g/mol
Exact mass: 180.1150 Da
Melting point: 41 °C
Boiling point: 164 °C
Flash point: 110 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 2.83Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

500-66-3

SMILES

CCCCCc1cc(O)cc(O)c1

InChIKey

IRMPFYJSHJGOPE-UHFFFAOYSA-N

InChI

InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3

Weigh it out

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

Names and synonyms

10 names

1,3-Benzenediol, 5-pentyl-
Resorcinol, 5-pentyl-
5-Pentyl-1,3-benzenediol
3,5-Dihydroxyamylbenzene
5-Pentylresorcinol
5-n-Amylresorcinol
5-n-Pentylresorcinol
1,3-Dihydroxy-5-pentylbenzene
5-Pentylbenzene-1,3-diol
3,5-Dihydroxy-1-pentylbenzene

Work with Olivetol

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

5-Propyl-1,3-benzenediol500-49-272 % similar 4-Pentylphenol14938-35-367 % similar Hydrogenated cardanol501-24-665 % similar 1-Nonyl-4-phenol104-40-564 % similar 4-N-Octylphenol1806-26-464 % similar 4-N-Heptylphenol1987-50-464 % similar 4-Butylphenol1638-22-857 % similar 5-(1,1-Dimethylheptyl)resorcinol56469-10-455 % similar

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

Same formula

Butylated hydroxyanisole121-00-6 (±)-Dihydroactinidiolide15356-74-8 Dihydroactinidiolide17092-92-1 Butylated hydroxyanisole25013-16-5 (2E,4E,6Z)-Methyl deca-2,4,6-trienoate51544-64-0 4-Methoxybenzenebutanol52244-70-9 4-Butoxybenzenemethanol6214-45-5 (Diethoxymethyl)benzene774-48-1

Elsewhere

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