Compound: 1,4-CYCLOHEXANEDIMETHANOL
SMILES: OCC1CCC(CO)CC1
InChIKey: YIMQCDZDWXUDCA-UHFFFAOYSA-N
Synonyms: 1,4-CYCLOHEXANEDIMETHANOL, 105-08-8, [4-(hydroxymethyl)cyclohexyl]methanol, 1,4-Bis(hydroxymethyl)cyclohexane, CHDM, 1,4-Chidm, Cyclohexane-1,4-dimethanol, Rikabinol DM, 1,4-Dimethylolcyclohexane, Cyclohex-1,4-ylenedimethanol, 1,4-Cyclohexamethylenebis methylol, DTXSID9026712, 8C3FKR6R1B, DTXCID106712, NSC-44508, (4-(hydroxymethyl)cyclohexyl)methanol, RefChem:6712, EASTMAN VERITYL AB-1000 DIOL, 203-268-9, 692-674-3, trans-1,4-Cyclohexanedimethanol, 3236-48-4, 3236-47-3, cis-1,4-Cyclohexanedimethanol, 1,4-Cyclohexanedimethanol, cis-, 1,4-Cyclohexanedimethanol, trans-, trans-cyclohexane-1,4-diyldimethanol, trans-1,4-Bis(hydroxymethyl)cyclohexane, cis-cyclohexane-1,4-diyldimethanol, MFCD00066360, trans-[4-(hydroxymethyl)cyclohexyl]methanol, MFCD00064957, (trans-4-Hydroxymethylcyclohexyl)methanol, cis-[4-(hydroxymethyl)cyclohexyl]methanol, trans-(4-hydroxymethyl-cyclohexyl)-methanol, 47A69Y3G5M, cis-1,4-bis(hydroxymethyl)cyclohexane, 7I8476P8P0, cis-(cyclohexane-1,4-diyl)dimethanol, PM 1597, cis-CHDM, [4-(hydroxymethyl)cyclohexyl]methan-1-ol, HSDB 5364, EINECS 203-268-9, [(1r,4r)-4-(hydroxymethyl)cyclohexyl]methanol, MFCD00001512, NSC 44508, UNII-8C3FKR6R1B, 1,4-cyclohexane dimethanol, BRN 1902271, UNII-47A69Y3G5M, AI3-28853, UNII-7I8476P8P0, (trans-4-Hydroxymethylcyclohexyl)methanol; trans-1,4-Bis(hydroxymethyl)cyclohexane;, trans-CHDM, (Cyclohexane-1,4-diyl)dimethanol, 1,4-Cyclohexanedimethanol, (Z)-, CHDM, trans isomer, CHDM, cis, EC-No. 203-268-9, AI3-26300, 1,4 cyclohexanedimethanol, 1,4 cyclohexane dimethanol, 1,4-cyclo-hexanedimethanol, 1,4-cyclohexane-dimethanol, EC 203-268-9, A1IH8, SCHEMBL27912, SCHEMBL130642, SCHEMBL297828, 1,4-dihydroxymethylcyclohexane, 1,4-Cyclohexanedimethanol,c&t, WLN: L6TJ A1Q D1Q, (Z)-1,4-cyclohexanedimethanol, SCHEMBL1316560, SCHEMBL6113181, SCHEMBL6434055, 1,4-Cyclohexanedimethanol, cis, CHEMBL3185118, Cyclohexane-1,4-dimethanol,c&t, SCHEMBL11682560, SCHEMBL11723676, 1,4-Cyclohexanedimethanol, trans, DTXSID00274143, DTXSID60274144, trans-1,4-cyclohexane dimethanol, trans-cyclohexane-1,4-dimethanol, (4-Hydroxymethylcyclohexyl)methanol, NSC44508, Tox21_200433, trans-1,4-dihydroxymethylcyclohexane, 1,4-bis-(hydroxymethyl)-cyclohexane, AC-291, Cyclohex-1,4-ylenedimethanol, trans, MSK161335, SBB058762, AKOS009031609, AKOS015833096, AKOS028109404, 1,4-Bis(hydroxymethyl)cyclohexane,c&t, AT36023, CS-W016379, EAN 087583, MSK161335-100M, SB17942, 1,4-Cyclohexanedimethanol, cis + trans, MSK161335-1000M, NCGC00248612-01, NCGC00257987-01, AS-18294, CAS-105-08-8, SY024459, SY342154, [(1r,4r)-Cyclohexane-1,4-diyl]dimethanol, [(1s,4s)-Cyclohexane-1,4-diyl]dimethanol, DB-026925, C2234, NS00007618, ST50823930, EN300-19999, alpha,alpha'-Dihydroxy-1,4-dimethylcyclohexane, F87287, EN300-1721997, F093287, F791415, Q1064929, 1,4-Cyclohexanedimethanol, mixture of (cis) and trans, Q27259032, Q27268338, Z104476328, 1,4-Cyclohexanedimethanol Solution in Methanol, 1000ug/mL, 1,4-Cyclohexanedimethanol Solution in Methanol, 100ug/mL, 1,4-Cyclohexanedimethanol, trans- (70%) and cis- (30%)
Theoretical properties:
molecular_formula: C8H16O2
molecular_weight: 144.21 g/mol
exact_mass: 144.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Sweet (1,3/1,4-cyclohexanedimethanol mixture)
boiling_point: 286 °C (cis-isomer), 283 °C (trans-isomer)
melting_point: 43 °C (cis-isomer), 67 °C (trans-isomer)
density: 1.0381 at 25 °C/4 °C
solubility: In water, 920,000 mg/L at 20 °C
flash_point: 166 °C
vapor_pressure: 3.08X10-4 mm Hg at 25 °C
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cyclohexanedimethanol (CHDM) is a mixture of isomeric organic compounds with formula C6H10(CH2OH)2. It is a colorless low-melting solid used in the production of polyester resins.  Commercial samples consist of a mixture of cis and trans isomers.  It is a di-substituted derivative of cyclohexane and is classified as a diol, meaning that it has two OH functional groups.  Commercial CHDM typically has a cis/trans ratio of 30:70.