Stearyl Alcohol

An alcohol, C18H38O, 270.501 g/mol. Boiling point 210.5 °C at 15 mm Hg, melting point 59.5 °C, as published.

verified recordOrganic — alcohol7 measured properties

Identifiers

Molecular formula: C₁₈H₃₈O
Molecular weight: 270.501 g/mol
Exact mass: 270.292266 g/mol
IUPAC name: octadecan-1-ol
SMILES: CCCCCCCCCCCCCCCCCCO
InChI: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 210.5 °C at 15 mm Hgmeasured · Hazardous Substances Data Bank (HSDB); 336 °Cmeasured · ILO-WHO International Chemical Safety Cards (ICSCs)
Melting Point: 59.5 °Cmeasured · Hazardous Substances Data Bank (HSDB); Heat of fusion at melting point = 7.4057X10+7 J/kmol (for the gamma phase, no selection of the alpha phase, crystal I can be made).measured · Hazardous Substances Data Bank (HSDB)
Density: 0.8124 at 59 °C/4 °Cmeasured · Hazardous Substances Data Bank (HSDB); Relative density (water = 1): 0.81 (liquid)measured · ILO-WHO International Chemical Safety Cards (ICSCs)
Solubility: Soluble in alcohol, ether, benzene, acetonemeasured · Hazardous Substances Data Bank (HSDB); Soluble in chloroform; slightly soluble in acetone, benzenemeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 0.0000027 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases; Vapor pressure = 0.1 mm Hg @ 125 °Cmeasured · Hazardous Substances Data Bank (HSDB)
LogP: 8.22measured · ILO-WHO International Chemical Safety Cards (ICSCs)
Flash Point: 200 °Cmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases; 392 °F (200 °C) (Closed cup)measured · Hazardous Substances Data Bank (HSDB)

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 270.5 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 270.292265831 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 8.4calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 20.2 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 145calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 1calculated · reference compound database
H-bond acceptors: 1calculated · reference compound database
logP: 6.2402calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 20.23 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 1calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 16calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 86.6318 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.3291calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon18 atoms · 79.9% by mass
H Hydrogen38 atoms · 14.2% by mass
O Oxygen1 atom · 5.9% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 19
Total atoms, hydrogen included: 57
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Alcohol
An –OH group on a saturated carbon.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Stearyl Alcohol yet.

Other names for it

The systematic name on this record is octadecan-1-ol.

The sources also call it 1-OCTADECANOL, Octadecan-1-ol, 1-Hydroxyoctadecane, Octadecyl alcohol, n-Octadecanol, Stearol, Stearic alcohol, n-Octadecyl alcohol, Atalco S, n-1-Octadecanol, Steraffine.

Structurally related

Nothing structurally close to Stearyl Alcohol has a page here yet.

Where these values came from

reference compound database8221
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.