1.0
2010-04-08 22:11:13 UTC
2025-11-19 00:45:38 UTC
FDB014339
alpha-Irone
Flavouring ingredient
α-Ionone, 6-methyl-
α-irone
α-methyl-ionone
2,6-cis-(2(1),2(2))-alpha-Ionone, cis-
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
4-(2,5,6,6-Tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one, 9CI
4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one
6-Methyl ionone
6-Methyl-α-ionone
6-Methyl-alpha -ionone
6-Methyl-alpha-ionone
alpha -Irone
alpha -Methyl-ionone
alpha 6-Methyl--ionone
alpha-Cyclocitrylidenebutanone
alpha-Cyclocitrylidenemethyl ethyl ketone
Alpha-inone, methyl-
alpha-Inone, methyl- (6CI)
Alpha-ionone, methyl-
Alpha-iron
Alpha-irone
cis-2,6-cis-(2(1),2(2))-alpha-Ionone
Cyclocitrylidenebutanone, alpha-
Cyclocitrylidenemethyl ethyl ketone, alpha-
FEMA 2597
Ionone 6-Methyl, α
Ionone 6-methyl, alpha
Irone
Irone, alpha-
Methyl alpha-ionone
Methyl-α-ionone
Methyl-alpha -ionone
Methyl-alpha-inone
Methyl-alpha-ionone
C14H22O
206.3239
206.167065326
(3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
α-iron
79-69-6
CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
JZQOJFLIJNRDHK-CMDGGOBGSA-N
belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
Sesquiterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Sesquiterpenoids
Aliphatic homomonocyclic compounds
Acryloyl compounds
Enones
Hydrocarbon derivatives
Ketones
Organic oxides
Acryloyl-group
Aliphatic homomonocyclic compound
Alpha,beta-unsaturated ketone
Carbonyl group
Cyclofarsesane sesquiterpenoid
Enone
Hydrocarbon derivative
Ionone derivative
Ketone
Megastigmane sesquiterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
Sesquiterpenoid
enone
methyl ketone
logp
4.37
ALOGPS
logs
-3.94
ALOGPS
solubility
2.36e-02 g/l
ALOGPS
melting_point
< 25 oC
logp
3.61
ChemAxon
pka_strongest_acidic
19.83
ChemAxon
pka_strongest_basic
-4.9
ChemAxon
iupac
(3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
ChemAxon
average_mass
206.3239
ChemAxon
mono_mass
206.167065326
ChemAxon
smiles
CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C
ChemAxon
formula
C14H22O
ChemAxon
inchi
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
ChemAxon
inchikey
JZQOJFLIJNRDHK-CMDGGOBGSA-N
ChemAxon
polar_surface_area
17.07
ChemAxon
refractivity
66.64
ChemAxon
polarizability
25.22
ChemAxon
rotatable_bond_count
2
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
13313
Specdb::CMs
146617
Specdb::MsMs
107928
Specdb::MsMs
107929
Specdb::MsMs
107930
Specdb::MsMs
175029
Specdb::MsMs
175030
Specdb::MsMs
175031
Specdb::MsMs
2738743
Specdb::MsMs
2738744
Specdb::MsMs
2738745
Specdb::MsMs
2969672
Specdb::MsMs
2969673
Specdb::MsMs
2969674
HMDB35631
10284
#<Reference:0x000055ce3211fb60>
berry
floral
orris
powdery
violet
woody