4-(Hexyloxy)phenol

C₁₂H₁₈O₂CAS 18979-55-0194.27 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₁₂H₁₈O₂
Molar mass: 194.27 g/mol
Exact mass: 194.1307 Da
Melting point: 45–47 °C
Boiling point: 112 °C (at 3 Torr)
logP: 3.35Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H411 Toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

18979-55-0

SMILES

CCCCCCOc1ccc(O)cc1

InChIKey

XIIIHRLCKLSYNH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3

Weigh it out

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

Names and synonyms

7 names

Phenol, 4-(hexyloxy)-
Phenol, p-(hexyloxy)-
p-(Hexyloxy)phenol
4-n-Hexoxyphenol
4-n-Hexyloxyphenol
p-Hexoxyphenol
4-Hexyloxyphenol

Work with 4-(Hexyloxy)phenol

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

4-(Heptyloxy)phenol13037-86-0100 % similar 4-(Octyloxy)phenol3780-50-5100 % similar 4-Butoxyphenol122-94-186 % similar 4-Propoxyphenol18979-50-572 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-369 % similar p-Bromophenyl octyl ether96693-05-969 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-266 % similar p-Heptyloxyaniline39905-44-764 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4

Elsewhere

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