Nonylphenol

C₁₅H₂₄OCAS 25154-52-3220.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₄O
Molar mass: 220.36 g/mol
Exact mass: 220.1827 Da
Density: 0.95 g/mL (at 20 °C)
Melting point: 2 °C
Boiling point: 293–297 °C
pKa: 10.25
Flash point: 140.6 °C (closed cup)
Water solubility: 4.9 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 swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H361fd Suspected of damaging fertility; Suspected of damaging the unborn childReproductive toxicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-053-00-8[1]), via PubChem.

Precautionary statements

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

Identifiers

CAS number

25154-52-3

SMILES

CCCCCCCCCC1=CC=CC=C1O

InChIKey

SNQQPOLDUKLAAF-UHFFFAOYSA-N

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3

Weigh it out

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

Names and synonyms

3 names

Phenol, nonyl-
n-Nonylphenol
Monononylphenol

Work with Nonylphenol

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-Heptylphenol5284-22-0100 % similar 2-Propylphenol644-35-971 % similar Hexylresorcinol136-77-667 % similar 4-Dodecylresorcinol24305-56-467 % similar Dipentylbenzene635-89-267 % similar Amylmetacresol1300-94-362 % similar 6-Pentadecylsalicylic acid16611-84-059 % similar Ginkgoneolic acid20261-38-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Nonyl-4-phenol104-40-5 Santalol11031-45-1 Caryophyllene oxide1139-30-6 Butylated hydroxytoluene128-37-0 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol5208-93-5 Spathulenol6750-60-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia