Compound: 1,3-PROPANEDIOL
SMILES: OCCCO
InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
Synonyms: 1,3-PROPANEDIOL, Propane-1,3-diol, 504-63-2, Trimethylene glycol, 1,3-Dihydroxypropane, 1,3-Propylene glycol, 2-Deoxyglycerol, 1,3-Propylenediol, beta-Propylene glycol, 2-(Hydroxymethyl)ethanol, omega-Propanediol, DTXSID8041246, 5965N8W85T, DTXCID6021246, CHEBI:16109, RefChem:906914, 207-997-3, 1,3-PROPANDIOL, .beta.-Propylene glycol, MFCD00002949, NSC 65426, .omega.-Propanediol, AI3-01851, HOCH2CH2CH2OH, HO(CH2)3OH, 31714-45-1, 345260-48-2, EINECS 207-997-3, BRN 0969155, UNII-5965N8W85T, 3-hydroxypropanol, 1,3 propanediol, 1.3-propanediol, propane-1,3diol, propane1,3-diol, propane1.3-diol, 1,3 propandiol, propan-1,3-diol, 1,3 -propanediol, 1,3- propanediol, 1,3-propane diol, 1,3-propane-diol, propane 1,3-diol, propane 1.3-diol, propane diol-1,3, propane-1-3-diol, propane-1.3-diol, Trimethylene glycol;, 1,3-propyleneglycol, propane-1, 3-diol, propanediol-(1,3), GlyTouCan:G36565LB, PROPANEDIOL [INCI], bmse000303, EC 207-997-3, 1,3-Propanediol, 98%, SCHEMBL15135, SCHEMBL74393, SCHEMBL95369, SCHEMBL96504, 1,3-Propanediol (Standard), (HOCH2)2CH2, CH2(CH2OH)2, SCHEMBL105133, SCHEMBL465048, SCHEMBL702020, CHEMBL379652, orb1303220, orb3139096, SCHEMBL4723167, SCHEMBL6818842, SCHEMBL18154859, SCHEMBL27465327, TRIMETHYLENE GLYCOL [MI], HSDB 8263, 1,3-Propanediol, >=99.6%, G36565LB, HY-W017758R, JLA47477, NSC65426, Tox21_300750, EBC-47518, STL282728, AKOS000269061, CS-W018490, DB02774, FP33131, HY-W017758, MSK000552-1000A, NCGC00248157-01, NCGC00254655-01, BP-30193, CAS-504-63-2, PD007650, DB-071203, NS00005983, P0486, EN300-19343, 1,3-Propanediol, puriss., >=99.0% (GC), C02457, D77845, F095066, Q161514, 1,3-Propanediol(Discontinued,See C4X-1254112), 1,3-Propanediol Solution in Acetonitrile, 1000ug/mL, InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H, F1908-0064, Z104473578, 7AB97F71-EF6B-4C05-8084-541427B9306C, 1,3-Propanediol, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C3H8O2
molecular_weight: 76.09 g/mol
exact_mass: 76.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 5
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless to pale yellow, very viscid liquid
color: Colorless to pale yellow, very viscid liquid
boiling_point: 210-212 °C
density: 1.0597 at 20 °C/4 °C
solubility: Miscible with water
flash_point: Flash Point: 174 °F/ 345 °C /closed cup/
vapor_pressure: 0.04 [mmHg]
Descriptions:
pubchem: Propane-1,3-diol is the simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210C) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. It has a role as a metabolite and a protic solvent.
chebi: The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210°C) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.
chembl: 1,3-PROPANEDIOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,3-Propanediol is the organic compound with the formula CH2(CH2OH)2. This 3-carbon diol is a colorless viscous liquid that is miscible with water.