Compound: ALLYL ALCOHOL
SMILES: OCC=C
InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N
Synonyms: ALLYL ALCOHOL, 2-Propen-1-ol, 107-18-6, 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, Allylalkohol, Alcool allylique, Allilowy alkohol, Propen-1-ol-3, Shell unkrautted A, Alcool allilco, RCRA waste number P005, 2-Propene-1-ol, 1-hydroxy-2-propene, 3-Hydroxy-1-propene, Orvinylcarbinol, DTXSID8020044, NSC-6526, 3W678R12M0, DTXCID2044, CHEBI:16605, 1-propene-3-ol, RefChem:5524, CHEBI:134361, 203-470-7, 1-Propenol-3, Shell Unkrauttod A, Allyl al, NSC 6526, MFCD00002920, Allyl alcohol, >=98.5%, Allylalkohol [German], Caswell No. 026, Alcool allilco [Italian], Alcool allylique [French], Allilowy alkohol [Polish], CAS-107-18-6, CCRIS 747, HSDB 192, EINECS 203-470-7, UN1098, RCRA waste no. P005, EPA Pesticide Chemical Code 068401, allylalcohol, Aaalcool allilco, AI3-14312, UNII-3W678R12M0, AllOH, Propenol-3, 2-propen-1ol, 1-Propenol-3-ol, prop-2-en-I-ol, ALLYL-ALCOHOL, CH2=CHCH2OH, Allyl alcohol, >=99%, EC 203-470-7, ALLYL ALCOHOL [MI], SCHEMBL3782, SCHEMBL11239, SCHEMBL23177, ALLYL ALCOHOL [HSDB], WLN: Q2U1, SCHEMBL130976, CHEMBL234926, SCHEMBL2707691, SCHEMBL2998423, SCHEMBL4152337, SCHEMBL5394250, SCHEMBL7365568, SCHEMBL7454064, SCHEMBL12689682, NSC6526, Allyl alcohol, analytical standard, CEA91030, Tox21_200200, Tox21_303507, STL185566, AKOS000118796, Allyl alcohol [UN1098]  [Poison], EBC-627231, UN 1098, NCGC00091428-01, NCGC00091428-02, NCGC00091428-03, NCGC00257474-01, NCGC00257754-01, Allyl Alcohol 500 microg/mL in Methanol, BP-21152, A0218, NS00006853, EN300-19483, C02001, InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H, Q414553, F0001-0139, Z104473976
Theoretical properties:
molecular_formula: C3H6O
molecular_weight: 58.08 g/mol
exact_mass: 58.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 4
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Pungent, mustard-like odor
boiling_point: 206 °F at 760 mmHg (EPA, 1998)
melting_point: -200 °F (EPA, 1998)
density: 0.854 at 68 °F (EPA, 1998) - Less dense than water; will float
solubility: Miscible (NIOSH, 2024)
flash_point: 71.6 °F (EPA, 1998)
vapor_pressure: 23.8 mmHg at 77 °F (EPA, 1998)
Descriptions:
pubchem: Allyl alcohol is a propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. It has a role as a fungicide, a herbicide, an insecticide, an antibacterial agent and a plant metabolite. It is a primary allylic alcohol and a propenol.
chebi: A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (<em>Allium sativum</em>). Formerly used as a herbicide for the control of various grass and weed seeds.
chembl: ALLYL ALCOHOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Allyl alcohol (IUPAC name: prop-2-en-1-ol) is an organic compound with the structural formula CH2=CHCH2OH.  Like many alcohols, it is a water-soluble, colourless liquid.  It is more toxic than typical small alcohols. Allyl alcohol is used as a precursor to many specialized compounds such as flame-resistant materials, drying oils, and plasticizers.  Allyl alcohol is the smallest representative of the allylic alcohols.