5-(1,1-Dimethylheptyl)resorcinol

C₁₅H₂₄O₂CAS 56469-10-4236.36 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₅H₂₄O₂
Molar mass: 236.36 g/mol
Exact mass: 236.1776 Da
Melting point: 99 °C
Boiling point: 161–163 °C (at 0.5 Torr)
logP: 4.35Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

56469-10-4

SMILES

CCCCCCC(C)(C)c1cc(O)cc(O)c1

InChIKey

GWBGUJWRDDDVBI-UHFFFAOYSA-N

InChI

InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

1,3-Benzenediol, 5-(1,1-dimethylheptyl)-
5-(1,1-Dimethylheptyl)-1,3-benzenediol
5-(1,1-Dimethylheptyl)benzene-1,3-diol

Work with 5-(1,1-Dimethylheptyl)resorcinol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Olivetol500-66-355 % similar 1-Nonyl-4-phenol104-40-546 % similar 4-N-Octylphenol1806-26-446 % similar 4-N-Heptylphenol1987-50-446 % similar Hydrogenated cardanol501-24-644 % similar 4-Pentylphenol14938-35-343 % similar Hexylresorcinol136-77-643 % similar 4-Dodecylresorcinol24305-56-443 % similar

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

Same formula

Curdione13657-68-6 (-)-Curcumol4871-97-0 2,6-Di-tert-butyl-4-methoxyphenol489-01-0 Dihydroartemisinic acid85031-59-0 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook