Compound: 2-Butyne-1,4-diol
SMILES: OCC#CCO
InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N
Synonyms: 2-Butyne-1,4-diol, 110-65-6, But-2-yne-1,4-diol, Butynediol, 1,4-Dihydroxy-2-butyne, 1,4-BUTYNEDIOL, Bis(hydroxymethyl)acetylene, 2-Butynediol, Agrisynth B3D, 2-Butin-1,4-diol, 1,4-Butinodiol, Butynediol-1,4, DTXSID4021921, AXH202FPQM, NSC-834, 2-Butin-1,4-diol [Czechoslovakia], DTXCID901921, CHEBI:16413, 2-Butin-1,4-diol (Czechoslovakia), RefChem:86062, 2-Butyne-1, 4-diol, CHEBI:22970, Advancedretinol Moisturizing Facial Cream, DR.HUI B-HA Multi Effect Repair Essence, Auquest Advancedretinol Moisturizing Facial Cream, 203-788-6, 2-BUTYNE-1,4-DIOL; ALLANTOIN; BETAINE; CENTELLA ASIATICA TRITERPENOIDS; ECTOINE; GLYCERYL GLUCOSIDE; HYALURONATE SODIUM; ISOAMYL MERCAPTAN; PENTYLENE GLYCOL, NSC 834, MFCD00002915, 2-butyn-1,4-diol, 1,4-Dimethoxyacetylene, 1,4-Butynediol (VAN), Butynediol-1,4 [French], 1,4-Butinodiol [Spanish], CAS-110-65-6, 2-Butin-1,4-diol [Czech], HSDB 2004, EINECS 203-788-6, UNII-AXH202FPQM, UN2716, BRN 1071237, AI3-61467, 2-butyne-l,4-diol, but-2-yne-1,4diol, 1,2-Dimethoxyacetylene, 1,4Dihydroxy-2-butyne, 2-butyne-1,4-di-ol, GlyTouCan:G80992YA, EC 203-788-6, WLN: Q2UU2Q, 1,4-BUTYNE GLYCOL, 4-01-00-02687 (Beilstein Handbook Reference), SCHEMBL148914, 1,2-Dihydroxydimethylacetylene, NSC834, SCHEMBL1098590, SCHEMBL5125793, 2-Butyne-1,4-diol, 99%, CHEMBL3187551, SCHEMBL15438350, 1,4-BUTYNEDIOL [HSDB], G80992YA, Tox21_201284, Tox21_302875, SBB067656, STL185542, AKOS000118736, UN 2716, NCGC00249014-01, NCGC00256535-01, NCGC00258836-01, 1,4-Butynediol [UN2716]  [Poison], B0749, NS00009569, EN300-19323, Butynediol 1,4-Butynediol 2-Butyne-1,4-diol, C02497, E78871, F117300, Q209328, F0001-0223, InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H, 1,4-Butynediol; 1,4-Dihydroxy-2-butyne; 2-Butynediol; Bis(hydroxymethyl)acetylene; Butynediol; NSC 834
Theoretical properties:
molecular_formula: C4H6O2
molecular_weight: 86.09 g/mol
exact_mass: 86.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 6
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Plates from benzene and ethyl acetate
color: Plates from benzene and ethyl acetate
boiling_point: 460 °F at 760 mmHg (USCG, 1999)
melting_point: 50 °C
density: 1.07 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Insoluble in benzene; slightly soluble in ethyl ether, choroform; very soluble in ethanol, acetone, methanol
flash_point: 263 °F (USCG, 1999)
vapor_pressure: 0.000556 [mmHg]
Descriptions:
pubchem: But-2-yne-1,4-diol is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
chebi: A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,4-Butynediol is an organic compound that is an alkyne and a diol.  It is a colourless, hygroscopic solid that is soluble in water and polar organic solvents. It is a commercially significant compound in its own right and as a precursor to other products.