Compound: Neopentyl glycol
SMILES: OCC(CO)(C)C
InChIKey: SLCVBVWXLSEKPL-UHFFFAOYSA-N
Synonyms: Neopentyl glycol, 126-30-7, 2,2-Dimethylpropane-1,3-diol, 2,2-DIMETHYL-1,3-PROPANEDIOL, Dimethylolpropane, 1,3-Propanediol, 2,2-dimethyl-, Neopentanediol, Neopentylene glycol, Neopentylglycol, Neol, Dimethyltrimethylene glycol, Hydroxypivalyl alcohol, 2,2-Dimethyltrimethylene glycol, Nexcoat 600, 2,2-Dimethyl-1,3 propanediol, QI80HXD6S5, DTXSID8027036, ORISTAR NPG, NSC-6366, 1,3-Dihydroxy-2,2-dimethylpropane, NSC-55836, NEOPENTYLGLYCOL ECAILLES, DTXCID007036, CHEBI:143768, dimethylol propane, RefChem:165329, 204-781-0, NPG Glycol, MFCD00004685, NSC 55836, 2,2-dimethyl-1,3-propandiol, 2,3 propanediol, WLN: Q1X1 & 1 & 1Q, 77498-68-1, CAS-126-30-7, CCRIS 3273, EINECS 204-781-0, Propanediol, 2,2-dimethyl-, 1,3-, UNII-QI80HXD6S5, BRN 0605291, 2,2-Bis(hydroxymethyl)propane, AI3-05739, Neopentyl glycolNPG, 2,2-dimethylolpropane, EC 204-781-0, SCHEMBL19621, CBDivE_004836, 4-01-00-02551 (Beilstein Handbook Reference), NEOPENTYL GLYCOL [MI], SCHEMBL333642, 2,2-dimethylpropan-1,3-diol, orb3023454, SCHEMBL1032719, SCHEMBL1099338, SCHEMBL1436764, SCHEMBL2226249, SCHEMBL7969066, 2,2-dimethyl 1,3-propanediol, 2.2-dimethyl-1,3-propanediol, 2,3-Dimethyl-1,3-propanediol, CHEMBL3184801, HSDB 8424, 2,2-dimethyl -1,3-propanediol, 2,2-dimethyl-1,3-propane diol, 2,2-dimethyl-propane-1,3-diol, NSC6366, MSK14152, NSC55836, 2,2-Dihydroxy-2,2-dimethylpropane, 2,2-Dimethyl-1,3-dihydroxypropane, Tox21_201363, Tox21_303298, SBB056814, AKOS005068060, MSK14152-100M, CS-W011300, FD54856, MSK14152-1000M, 2,2-Dimethyl-1,3-propanediol, 99%, NCGC00249034-01, NCGC00256980-01, NCGC00258915-01, AS-13611, DIMETHYL-1,3-PROPANEDIOL, 2,2-, D0791, NS00003307, ST50982294, EN300-30502, D71071, F235831, Q413855, F0001-0385, 1,3-Propanediol, 2,2-dimethyl-;2,2-Dimethylpropane-1,3-diol, 2,2-Dimethyl-1,3-propanediol Solution in Methanol, 1000ug/mL, 2,2-Dimethyl-1,3-propanediol Solution in Methanol, 100ug/mL, InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H
Theoretical properties:
molecular_formula: C5H12O2
molecular_weight: 104.15 g/mol
exact_mass: 104.083729621 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Needles from benzene
color: Needles from benzene
odor: Sweetish
boiling_point: 406.4 °F at 760 mmHg (USCG, 1999)
melting_point: 260.6 °F (USCG, 1999)
density: 1.1 g/cu cm
solubility: In water, 83 g/100 mL at 20 °C
flash_point: 225 °F (USCG, 1999)
vapor_pressure: 0.22 [mmHg]
Descriptions:
pubchem: Neopentyl glycol is a propane-1,3-diol carrying two methyl groups at position 2.
chebi: A propane-1,3-diol carrying two methyl groups at position 2.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Neopentyl glycol (NPG) (IUPAC name: 2,2-dimethylpropane-1,3-diol) is an organic chemical compound. It is used in the synthesis of polyesters, paints, lubricants, and plasticizers. When used in the manufacture of polyesters, it enhances the stability of the product towards heat, light, and water. By esterification reaction with fatty or carboxylic acids, synthetic lubricating esters with reduced potential for oxidation or hydrolysis, compared to natural esters, can be produced.