1-Nonyl-4-phenol

C₁₅H₂₄OCAS 104-40-5220.36 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₅H₂₄O
Molar mass: 220.36 g/mol
Exact mass: 220.1827 Da
Density: 0.9273 g/mL (at 20 °C)
Melting point: 42 °C
Boiling point: 180–181 °C
Flash point: 113 °C (closed cup)
Water solubility: 7 mg/L (25 °C)
logP: 4.69Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed32.2% of notifiers
H314 Causes severe skin burns and eye damage32.2% of notifiers
H318 Causes serious eye damage19.4% of notifiers
H361 Suspected of damaging fertility or the unborn child30.7% of notifiers
H400 Very toxic to aquatic life26.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects26.5% of notifiers

Aggregated from 661 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

104-40-5

SMILES

CCCCCCCCCc1ccc(O)cc1

InChIKey

IGFHQQFPSIBGKE-UHFFFAOYSA-N

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

Weigh it out

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

Names and synonyms

7 names

Phenol, 4-nonyl-
Phenol, p-nonyl-
4-Nonylphenol
p-Nonylphenol
4-n-Nonyl phenol
p-n-Nonylphenol
p-NP

Work with 1-Nonyl-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-N-Octylphenol1806-26-4100 % similar 4-N-Heptylphenol1987-50-4100 % similar 4-Pentylphenol14938-35-396 % similar 4-Butylphenol1638-22-883 % similar 4-Propylphenol645-56-768 % similar Hydrogenated cardanol501-24-665 % similar 1-Bromo-4-dodecylbenzene126930-72-164 % similar 1-(4-Bromophenyl)hexane23703-22-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Santalol11031-45-1 Caryophyllene oxide1139-30-6 Butylated hydroxytoluene128-37-0 Nonylphenol25154-52-3 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol5208-93-5 Spathulenol6750-60-3

Elsewhere

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