Allyl Alcohol

An alcohol, C3H6O, 58.08 g/mol. Boiling point 96.9 °C, melting point -129 °C, as published.

verified recordOrganic — alcohol9 measured properties

Identifiers

Molecular formula: C₃H₆O
Molecular weight: 58.08 g/mol
Exact mass: 58.041865 g/mol
IUPAC name: prop-2-en-1-ol
SMILES: C=CCO
InChI: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey: XXROGKLTLUQVRX-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: 206 °F at 760 mmHg (EPA, 1998)measured · CAMEO Chemicals; 96.9 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: -200 °F (EPA, 1998)measured · CAMEO Chemicals; -129 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 0.854 at 68 °F (EPA, 1998) - Less dense than water; will floatmeasured · CAMEO Chemicals; 0.8540 at 20 °C/4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: Miscible (NIOSH, 2024)measured · CAMEO Chemicals; Infinitely soluble in water at 20 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 23.8 mmHg at 77 °F (EPA, 1998)measured · CAMEO Chemicals; 25.4 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
LogP: log Kow = 0.17measured · Hazardous Substances Data Bank (HSDB); 0.17measured · Human Metabolome Database (HMDB)
Flash Point: 71.6 °F (EPA, 1998)measured · CAMEO Chemicals; 22 °Cmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Viscosity: 1.218 mPa.s at 25 °C; 0.759 mPa.s at 50 °C; 0.505 mPa.s at 75 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 6-232
Refractive Index: Index of refraction: 1.41345 at 20 °C/Dmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 53

Calculated properties

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

Molecular weight: 58.08 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 58.041864811 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 0.2calculated · 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: 17calculated · 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: 0.1647calculated · 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: 1calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 17.2828 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 0.3333calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.4258calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon3 atoms · 62.0% by mass
O Oxygen1 atom · 27.5% by mass
H Hydrogen6 atoms · 10.4% 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: 4
Total atoms, hydrogen included: 10
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Alcohol
An –OH group on a saturated carbon.
Alkene
A carbon–carbon double bond.

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 Allyl Alcohol yet.

Other names for it

The systematic name on this record is prop-2-en-1-ol.

The sources also call it 2-Propen-1-ol, PROP-2-EN-1-OL, Vinylcarbinol, 2-Propenol, 2-Propenyl alcohol, 3-Hydroxypropene, Allylic alcohol, 1-Propen-3-ol, Vinyl carbinol, Weed drench, Propenyl alcohol.

Structurally related

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

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Allyl Alcohol. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1,3-Bis(diphenylphosphino)propane

used as a reactant

C₂₇H₂₆P₂, 412.453 g/mol.

(2-Benzyloxy-5-oxo-tetrahydro-furan-3-yl)-carbamic acid allyl ester

used as a reactant

C₁₅H₁₇NO₅, 291.303 g/mol.

Where these values came from

reference compound database7858
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.