2-Butene-1,4-diol

• Catalog Number: ACM821114
• Product Name: 2-Butene-1,4-diol
• CAS: 821-11-4
• Category: Heterocyclic Organic Compound
• Description: Liquid
• Synonyms: 2-Butene-1,4-diol;(E)-but-2-ene-1,4-diol;821-11-4;trans-2-Butene-1,4-diol;2-butene-1,4-diol, (2E)-;110-64-5;Butenediol;(E)-2-Butene-1,4-diol;(2E)-2-Butene-1,4-diol;2-Butene, 1,4-dihydroxy-;2-Buten-1,4-diol;UNII-0P6354W2W1;(2E)-but-2-ene-1,4-diol;1,4-DIHYDROXY-2-BUTENE;Z/E-But-2-ene-1,4-dio;6117-80-2;Penitricin C;0P6354W2W1;Agrisynth B2D;2-Butene-1,4-diol,c&t;Caswell No. 120;(2E)-2-Butene-1,4-diol #;HSDB 5540;NSC 1260;EINECS 203-787-0;EPA Pesticide Chemical Code 220100;2-Butene-1,4-diol(cis+trans);AI3-07551;2-BUTENE-1,4-DIOL (TRANS);zlchem 1295;DSSTox_CID_6849;EC 203-787-0;Trans-2-buten-1,4-diol;trans 2-butene-1,4-diol;(e)-2-buten-1,4-diol;DSSTox_RID_78227;DSSTox_GSID_26849;trans-but-2-ene-1,4-diol;trans-1,4-Dihydroxy-2-butene;C20H25N7O6.2Na;CHEMBL3188586;2-Butene-1,4-diol, (E)-;ZLE0070;ZINC5112523;Tox21_202430;STL453720;AKOS000121146;NE10244;2-Butene-1,4-diol, cis/trans mixture;NCGC00249224-01;NCGC00259979-01;AS-58110;CAS-110-64-5;B3384;Z3450;Q-200249;Q27237056;UNII-2I323Z5567 component ORTVZLZNOYNASJ-OWOJBTEDSA-N
• IUPAC Name: (E)-but-2-ene-1,4-diol
• Molecular Weight: 88.11g/mol
• Molecular Formula: C4H8O2
• Canonical SMILES: C(C=CCO)O
• InChI: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+
• InChI Key: ORTVZLZNOYNASJ-OWOJBTEDSA-N
• Boiling Point: 141-149 °C AT 20 MM HG
• Melting Point: 7 °C (45 °F)
• Flash Point: 128 °C (263 °F) OC
• Density: 1.067-1.074
• Solubility: VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE
• Color/Form: ALMOST COLORLESS LIQUID
• Complexity: 34.8
• Covalently-Bonded Unit Count: 1
• EC Number: 228-085-1;203-787-0;617-300-8
• Exact Mass: 88.052429494g/mol
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• LogP: -0.81 (LogP)
• Monoisotopic Mass: 88.052429494g/mol
• Odor: ODORLESS
• Refractive Index: INDEX OF REFRACTION: 1.476-1.478 AT 25 °C/D
• Rotatable Bond Count: 2
• Safety Description: 26-36
• Topological Polar Surface Area: 40.5Ų
• UNII: 0P6354W2W1
• Vapor Density: 3.0 (AIR= 1)
• XLogP3: -0.8