Molecular formula
C12H20O

SMILES
C/C=C/C(=O)/C(=C(\C)/C(C)(C)C)/C

Fragrance
Fruity	86.56%
Floral	57.24%
Apple	54.63%
Rose	53.66%
Herbal	50.07%
Dry	47.06%
Woody	43.96%
Berry	39.63%
Tobacco	36.96%
Chamomile	36.19%

 

Flavor
Herbal	56.06%
Woody	44.25%
Sweet	43.89%
Green	39.47%
Herb	36.91%
Spicy	35.24%
Mint	29.09%
Dry	28.67%
Citrus	27.1%
Lavender	26.56%

 

Odor impact est.
High

XLogP3-AA
3.9

pKa est.
9.19 (weak base)

Molecular weight
180.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
230°C

Flash point

• 90.32 ˚C est.

• SCHEMBL6760234
• SCHEMBL6760238

Primarily an organic-synthesis intermediate, (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one may be evaluated for use in fragrance and flavor chemistry as an odorant or fragrance precursor; in cosmetics/personal care and household products it can function as a scent component; in industrial manufacturing it serves as a building block for specialty chemicals and polymers; it may also be considered for pharmaceutical or agrochemical synthesis as an intermediate, all within formulation constraints and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	556.09
methanol	500.23
isopropanol	691.46
water	1.85
ethyl acetate	652.61
n-propanol	628.04
acetone	513.89
n-butanol	741.3
acetonitrile	540.15
DMF	844.45
toluene	707.46
isobutanol	603.24
1,4-dioxane	1279.53
methyl acetate	569.81
THF	1554.39
2-butanone	695.11
n-pentanol	484.47
sec-butanol	802.02
n-hexane	548.14
ethylene glycol	74.39
NMP	757.63
cyclohexane	600.17
DMSO	271.08
n-butyl acetate	694.27
n-octanol	494.97
chloroform	1873.97
n-propyl acetate	403.92
acetic acid	338.29
dichloromethane	1151.05
cyclohexanone	1042.63
propylene glycol	150.11
isopropyl acetate	481.98
DMAc	768.83
2-ethoxyethanol	371.83
isopentanol	671.54
n-heptane	273.76
ethyl formate	345.45
1,2-dichloroethane	816.93
n-hexanol	963.39
2-methoxyethanol	551.2
isobutyl acetate	317.88
tetrachloromethane	568.89
n-pentyl acetate	434.23
transcutol	874.31
n-heptanol	468.5
ethylbenzene	535.14
MIBK	462.14
2-propoxyethanol	767.2
tert-butanol	1020.08
MTBE	1096.52
2-butoxyethanol	485.47
propionic acid	335.89
o-xylene	518.42
formic acid	96.03
diethyl ether	892.24
m-xylene	558.78
p-xylene	722.15
chlorobenzene	701.28
dimethyl carbonate	209.41
n-octane	135.84
formamide	139.74
cyclopentanone	936.93
2-pentanone	641.19
anisole	636.75
cyclopentyl methyl ether	872.43
gamma-butyrolactone	840.42
1-methoxy-2-propanol	550.71
pyridine	821.15
3-pentanone	541.13
furfural	685.05
n-dodecane	80.73
diethylene glycol	355.93
diisopropyl ether	404.73
tert-amyl alcohol	988.87
acetylacetone	508.18
n-hexadecane	91.76
acetophenone	482.83
methyl propionate	461.29
isopentyl acetate	658.68
trichloroethylene	1448.13
n-nonanol	423.4
cyclohexanol	796.04
benzyl alcohol	400.05
2-ethylhexanol	610.16
isooctanol	397.66
dipropyl ether	557.18
1,2-dichlorobenzene	651.69
ethyl lactate	203.49
propylene carbonate	592.59
n-methylformamide	316.13
2-pentanol	667.03
n-pentane	375.33
1-propoxy-2-propanol	659.99
1-methoxy-2-propyl acetate	544.98
2-(2-methoxypropoxy) propanol	387.47
mesitylene	414.28
ε-caprolactone	859.93
p-cymene	342.49
epichlorohydrin	941.06
1,1,1-trichloroethane	1264.87
2-aminoethanol	199.85
morpholine-4-carbaldehyde	808.01
sulfolane	715.76
2,2,4-trimethylpentane	178.06
2-methyltetrahydrofuran	1259.79
n-hexyl acetate	685.44
isooctane	148.9
2-(2-butoxyethoxy)ethanol	470.94
sec-butyl acetate	376.65
tert-butyl acetate	572.66
decalin	277.79
glycerin	161.84
diglyme	753.89
acrylic acid	255.02
isopropyl myristate	281.11
n-butyric acid	574.43
acetyl acetate	369.46
di(2-ethylhexyl) phthalate	224.27
ethyl propionate	421.21
nitromethane	438.71
1,2-diethoxyethane	548.0
benzonitrile	526.9
trioctyl phosphate	176.54
1-bromopropane	888.41
gamma-valerolactone	1022.64
n-decanol	308.14
triethyl phosphate	225.66
4-methyl-2-pentanol	436.47
propionitrile	639.5
vinylene carbonate	527.98
1,1,2-trichlorotrifluoroethane	557.14
DMS	394.73
cumene	385.12
2-octanol	398.37
2-hexanone	511.88
octyl acetate	346.25
limonene	474.58
1,2-dimethoxyethane	775.48
ethyl orthosilicate	246.88
tributyl phosphate	202.28
diacetone alcohol	520.46
N,N-dimethylaniline	476.16
acrylonitrile	531.54
aniline	544.63
1,3-propanediol	339.28
bromobenzene	751.03
dibromomethane	967.45
1,1,2,2-tetrachloroethane	1403.18
2-methyl-cyclohexyl acetate	444.54
tetrabutyl urea	250.34
diisobutyl methanol	336.95
2-phenylethanol	576.34
styrene	515.2
dioctyl adipate	295.15
dimethyl sulfate	273.12
ethyl butyrate	467.28
methyl lactate	215.1
butyl lactate	306.71
diethyl carbonate	328.19
propanediol butyl ether	372.01
triethyl orthoformate	352.94
p-tert-butyltoluene	351.1
methyl 4-tert-butylbenzoate	457.06
morpholine	1286.15
tert-butylamine	877.54
n-dodecanol	229.49
dimethoxymethane	544.44
ethylene carbonate	467.5
cyrene	337.16
2-ethoxyethyl acetate	419.9
2-ethylhexyl acetate	573.38
1,2,4-trichlorobenzene	683.88
4-methylpyridine	1021.44
dibutyl ether	478.89
2,6-dimethyl-4-heptanol	336.95
DEF	628.39
dimethyl isosorbide	653.88
tetrachloroethylene	912.52
eugenol	417.86
triacetin	376.95
span 80	391.64
1,4-butanediol	144.67
1,1-dichloroethane	1101.8
2-methyl-1-pentanol	507.78
methyl formate	250.3
2-methyl-1-butanol	677.92
n-decane	153.64
butyronitrile	771.21
3,7-dimethyl-1-octanol	456.07
1-chlorooctane	409.19
1-chlorotetradecane	161.34
n-nonane	163.75
undecane	107.43
tert-butylcyclohexane	271.16
cyclooctane	229.83
cyclopentanol	682.39
tetrahydropyran	1472.76
tert-amyl methyl ether	796.42
2,5,8-trioxanonane	476.75
1-hexene	863.8
2-isopropoxyethanol	335.88
2,2,2-trifluoroethanol	138.37
methyl butyrate	513.21

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