Compound: 104-61-0
SMILES: O=C1OC(CCCCC)CC1
InChIKey: OALYTRUKMRCXNH-UHFFFAOYSA-N
Synonyms: 104-61-0, Gamma-nonalactone, gamma-Nonanolactone, 2(3H)-Furanone, dihydro-5-pentyl-, Prunolide, gamma-Nonanolide, Cocos aldehyde, Nonan-1,4-olide, Coconut aldehyde, gamma-Nonylactone, 1,4-Nonalolide, apricolin, gamma-Pelargolactone, 4-Pentyl-butanolide, Aldehyde C-18, 4-Nonalactone, DIHYDRO-5-PENTYL-2(3H)-FURANONE, gamma-Nonyllactone, Nonan-4-olide, gamma-N-Amylbutyrolactone, FEMA No. 2781, 1,4-Nonyl lactone, delta-n-Amylbutyrolactone, FEMA Number 2781, .gamma.-Nonalactone, gamma-Amyl-gamma-butyrolactone, gamma-Pentyl-gamma-butyrolactone, HSDB 5360, UNII-I1XGH66S8P, EINECS 203-219-1, I1XGH66S8P, 4-Amyl-4-hydroxybutyric acid lactone, 4-Hydroxynonanoic acid, gamma-lactone, 4-Hydroxynonanoic acid lactone, DTXSID0034229, NONYL LACTONE, Nonanoic acid, 4-hydroxy-, gamma-lactone, AI3-02457, Dihydro-5-pentylfuran-2(3H)-one, NSC 24253, NSC 46099, NSC-24253, NSC-46099, 4-Hydroxynonanoic acid, .gamma.-lactone, GAMMA-NONALACTONE [FCC], DTXCID8014229, 5-Pentyldihydro-2(3H)-furanone, EC 203-219-1, .GAMMA.-NONALACTONE [FHFI], DELTA-N-AMYLBUTYROLACTONE [HSDB], Aldehyde C18, gammaNonanolide, 4nonanolide, gammaNonylactone, 4Nonalactone, gammaNonyllactone, 4Pentylbutanolide, gammaNonanolactone, gammaPelargolactone, 1,4Nonalolide, Nonan1,4olide, 1,4Nonyl lactone, gammanAmylbutyrolactone, gamma-Amylbutyrolactone, gammaAmylgammabutyrolactone, RefChem:639596, gammaPentylgammabutyrolactone, Dihydro5pentyl2(3H)furanone, 2(3H)Furanone, dihydro5pentyl, GAMMA-NONALACTONE [INCI], 4Amyl4hydroxybutyric acid lactone, 4Hydroxynonanoic acid, gammalactone, Nonanoic acid, 4hydroxy, gammalactone, Flavor and Extract Manufacturers' Association No. 2781, 5-pentyldihydrofuran-2(3H)-one, 5-pentyloxolan-2-one, 4-Nonanolide, gamma-Nonanoic lactone, MFCD00005403, rac-gamma-Nonanolactone, (+/-)-gamma-nonalactone, .gamma.-n-Amylbutyrolactone, g-Nonanolactone, CHEMBL191935, rac-?-Nonanolactone, 82373-92-0, 5-pentyltetrahydrofuran-2-one, 4-Pentylbutanolide, .gamma.-Nonalacton, .gamma.-Nonanolide, |A-Nonanol Actone, gamma-Pelargonolactone, .gamma.-Nonanolactone, gamma -Nonanoic lactone, (r/s)-gamma-nonalactone, .gamma.-Amylbutyrolactone, .gamma.-Nonanoic lactone, 5-Pentyl-.gamma.-lactone, gamma-Nonanoic lactone, 97%, SCHEMBL112484, 5-Pentyl-dihydro-furan-2-one, orb1297036, orb3025508, 5-pentyl-tetrahydro-furan-2-one, OALYTRUKMRCXNH-UHFFFAOYSA-, (.+/-.)-.gamma.-Nonalactone, Dihydro-5-pentyl-2(3H)-furanon, 2(3h)-furanone,dihydro-5-pentyl, .gamma.-Amyl-.gamma.-butyrolactone, NSC24253, NSC46099, (3H)-Dihydro-5-pentyl-2-furanone, 5-Pentyldihydro-2(3H)-furanone #, Tox21_301039, BBL027520, BDBM50167995, EBC-13743, LMFA07040021, MSK010002, STL373781, AKOS015904806, CS-W017997, DS-3247, FN05789, gamma-NONALACTONE (ALDEHYDE C-18), NCGC00164129-01, NCGC00164129-02, NCGC00254941-01, CAS-104-61-0, SY026595, gamma-Nonanoic lactone, >=98%, FCC, FG, gamma-Nonanoic lactone, natural, 98%, FG, N0285, Nonanoic acid, 4-hydroxy-, .gamma.-lactone, NS00076561, ( inverted exclamation markA)-|A-Nonalactone, D70273, EN300-342288, gamma-Nonalactone, analytical reference material, F517774, Q11255995, Z1255430984, InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3, (S)-4-Nonanolide, (5S)-5-pentyloxolan-2-one, (S)-Dihydro-5-pentyl-2(3H)-furanone, AC1L9BCA, SureCN1358227, (5S)-5-pentyl-2-oxolanone, 74314_FLUKA, (S)-|A-Pentyl-|A-butyrolactone, (S)-gamma-Pentyl-gamma-butyrolactone, ZINC03875730, AKOS015915501, C08501, A801013, I14-6120, 63357-97-1, 57084-16-9
Theoretical properties:
molecular_formula: C9H16O2
molecular_weight: 156.22 g/mol
exact_mass: 156.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 11
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless to slightly yellow liquid
color: Colorless to slightly yellow liquid
odor: Strong odor reminiscent of coconut
boiling_point: BP: 134 °C at 12 mm Hg
density: 0.958-0.966 at 25 °C
solubility: Soluble in alcohol, most fixed oils, propylene glycol; 1:1 in 60% alcohol
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
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