Compound: gamma-Decalactone
SMILES: O=C1OC(CCCCCC)CC1
InChIKey: IFYYFLINQYPWGJ-UHFFFAOYSA-N
Synonyms: gamma-Decalactone, 706-14-9, gamma-Decanolactone, 5-hexyloxolan-2-one, Decan-4-olide, 2(3H)-Furanone, 5-hexyldihydro-, 2-Decalactone, 5-Hexyldihydro-2(3H)-furanone, 4-Hexyl-4-butanolide, gamma-N-Decalactone, 5-Hexyltetrahydro-2-furanone, gamma-Hexyl-gamma-butyrolactone, 4-Hexyl-gamma-butyrolactone, FEMA No. 2360, gamma-N-Hexyl-gamma-butyrolactone, 4-Hexyl-4-hydroxybutanoic acid lactone, DTXSID4022109, 7HLS05KP9O, NSC-24248, NSC-26510, DTXCID002109, CHEBI:145740, gamma-lactone decanoic acid, 4-n-hexyl-4-hydroxybutanoic acid lactone, RefChem:142295, 211-892-8, 4-hydroxy-decanoic acid, 4-Decanolide, 5-hexyldihydrofuran-2(3H)-one, Decanolide-1,4, Decanolactone, .gamma.-Decalactone, 2825-92-5, MFCD00005404, 4-Hydroxydecanoic acid gamma-lactone, NSC 24248, NSC 26510, .gamma.-Decanolactone, .gamma.-N-Decalactone, .gamma.-Hexylbutyrolactone, g-Decalactone, 4-Hexyl-.gamma.-butyrolactone, CHEMBL365740, Decanoic acid, .gamma.-lactone, .gamma.-Hexyl-.gamma.-butyrolactone, Hydroxydecanoic acid .gamma.-lactone, .gamma.-N-Hexyl-.gamma.-butyrolactone, 4-Hydroxydecanoic acid, .gamma.-lactone, WLN: T5OVTJ E6, gamma-Decalactone (natural), Gamma Decalactone, 5-hexyltetrahydrofuran-2-one, Decanoic acid, gamma-lactone, 4-Hydroxydecanoic acid lactone, Hydroxydecanoic acid gamma-lactone, Hydroxydecanoic acid, gamma-lactone, EINECS 211-892-8, 4-Hydroxydecanoic acid, gamma-lactone, UNII-7HLS05KP9O, BRN 0117547, Decanoic acid, 4-hydroxy-, gamma-lactone, AI3-36026, ??Decalactone, 4-Decalactone, .gamma.-Decanolide, gamma -Decanolactone, starbld0003214, DECALACTONE GAMMA, 4-n-hexyl-4-butanolide, gamma-Decanolactone, 98%, gamma-n-hexyl butyrolactone, EC 211-892-8, Gamma-n-hexyl-butyrolactone, Gamma-decalactone (Standard), 5-17-09-00093 (Beilstein Handbook Reference), 5-Hexyl-dihydro-furan-2-one, SCHEMBL113200, orb1710776, GAMMA-DECALACTONE [FCC], HY-N7105R, 4-Hydroxydecanoic acid ?-lactone, (.+/-.)-.gamma.-Decanolactone, .GAMMA.-DECALACTONE [FHFI], HY-N7105, NSC24248, NSC26510, xi-5-Hexyldihydro-2(3H)-furanone, Tox21_301095, BBL027521, BDBM50167997, MSK014396, s5375, STL372952, 5-hexyl-3,4,5-trihydrofuran-2-one, AKOS015905260, CCG-266362, CS-W017696, EBC-617212, FD04173, MSK014396-100B, gamma-Decalactone, >=98%, FCC, FG, 5-HEXYLDIHYDRO-2-(3H)-FURANONE, NCGC00248286-01, NCGC00254995-01, CAS-706-14-9, SY015566, VS-08558, Decanoic acid, 4-hydroxy-, .gamma.-lactone, H0233, NS00004009, ST50330653, D70097, gamma-Decalactone, analytical reference material, gamma-Decalactone Solution in Acetone, 100ug/mL, F241228, Q423956
Theoretical properties:
molecular_formula: C10H18O2
molecular_weight: 170.25 g/mol
exact_mass: 170.130679813 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 12
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 114.00 to 116.00 °C. @ 0.50 mm Hg
density: 0.950-0.955
solubility: 1 ml in 1 ml 95% alcohol (in ethanol)
vapor_pressure: 0.00512 [mmHg]
Descriptions:
pubchem: Gamma-decalactone is a gamma-lactone that is oxolan-2-one substituted by a hexyl group at position 5. It has a role as a flavouring agent, an anticonvulsant and a food additive. It is a gamma-lactone and a tetrahydrofuranone.
chebi: A γ-lactone that is oxolan-2-one substituted by a hexyl group at position 5.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: γ-Decalactone is a lactone and aroma compound with the chemical formula C10H18O2. It has an intense peach flavour, naturally present in many fruits and fermentations. It is particularly important in the formulation of peach, apricot, and strawberry flavourants for drinks, food, personal care products, pharmaceutical drugs, and household goods.