Molecular formula
C12H20O

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

Fragrance
Fruity	88.14%
Rose	49.32%
Herbal	47.45%
Floral	47.12%
Apple	46.17%
Dry	43.02%
Berry	35.57%
Woody	34.23%
Chamomile	33.38%
Caramellic	32.97%

 

Flavor
Herbal	48.09%
Spicy	36.1%
Woody	30.89%
Herb	28.7%
Sweet	27.65%
Green	22.67%
Mint	22.17%
Filbert	20.42%
Ocimene	20.25%
Light	20.02%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
9.59 (weak base)

Molecular weight
180.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
233°C

Flash point

• 93.64 ˚C est.

• SCHEMBL6761907
• SCHEMBL6761909

Possible applications for (2E,5Z)-6-ethyl-5,7-dimethylocta-2,5-dien-4-one include acting as an odorant and fragrance ingredient in perfumery and cosmetics; serving as an intermediate or building block in fragrance chemistry for synthesis of aroma compounds; being evaluated for aroma contributions in flavor applications; functioning as a fragrance additive in household products; acting as a scent modifier in coatings and inks; and potentially being incorporated as an odorant or fragrance component in polymers and plastics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1572.7
methanol	1757.77
isopropanol	1625.09
water	0.82
ethyl acetate	1370.08
n-propanol	1650.48
acetone	1555.28
n-butanol	1936.56
acetonitrile	1704.56
DMF	1838.26
toluene	1552.95
isobutanol	1456.3
1,4-dioxane	2876.63
methyl acetate	1189.56
THF	3161.28
2-butanone	1574.26
n-pentanol	1210.25
sec-butanol	1646.35
n-hexane	999.31
ethylene glycol	131.66
NMP	1583.93
cyclohexane	1464.69
DMSO	789.32
n-butyl acetate	1708.38
n-octanol	680.68
chloroform	4913.36
n-propyl acetate	925.46
acetic acid	848.81
dichloromethane	3816.1
cyclohexanone	2937.89
propylene glycol	217.26
isopropyl acetate	908.66
DMAc	1169.25
2-ethoxyethanol	813.75
isopentanol	1685.76
n-heptane	422.61
ethyl formate	842.62
1,2-dichloroethane	2763.33
n-hexanol	2043.88
2-methoxyethanol	1376.2
isobutyl acetate	630.25
tetrachloromethane	1321.43
n-pentyl acetate	910.86
transcutol	1801.42
n-heptanol	720.08
ethylbenzene	804.53
MIBK	920.39
2-propoxyethanol	1702.58
tert-butanol	1881.05
MTBE	2430.01
2-butoxyethanol	831.32
propionic acid	805.77
o-xylene	797.87
formic acid	190.31
diethyl ether	2574.99
m-xylene	934.37
p-xylene	949.64
chlorobenzene	1763.83
dimethyl carbonate	355.86
n-octane	189.87
formamide	303.66
cyclopentanone	2248.96
2-pentanone	1444.84
anisole	1047.68
cyclopentyl methyl ether	1888.32
gamma-butyrolactone	1961.63
1-methoxy-2-propanol	1015.57
pyridine	2354.13
3-pentanone	1149.83
furfural	1527.77
n-dodecane	100.82
diethylene glycol	671.14
diisopropyl ether	791.21
tert-amyl alcohol	1678.1
acetylacetone	923.75
n-hexadecane	117.78
acetophenone	782.45
methyl propionate	911.2
isopentyl acetate	1477.78
trichloroethylene	4268.98
n-nonanol	600.2
cyclohexanol	1996.41
benzyl alcohol	740.52
2-ethylhexanol	1109.32
isooctanol	613.85
dipropyl ether	1134.45
1,2-dichlorobenzene	1299.62
ethyl lactate	301.16
propylene carbonate	1082.47
n-methylformamide	839.09
2-pentanol	1355.11
n-pentane	768.16
1-propoxy-2-propanol	1127.26
1-methoxy-2-propyl acetate	905.0
2-(2-methoxypropoxy) propanol	502.69
mesitylene	611.32
ε-caprolactone	1967.65
p-cymene	475.51
epichlorohydrin	2521.11
1,1,1-trichloroethane	3027.71
2-aminoethanol	408.12
morpholine-4-carbaldehyde	1598.85
sulfolane	1657.65
2,2,4-trimethylpentane	287.68
2-methyltetrahydrofuran	2857.02
n-hexyl acetate	1192.68
isooctane	234.82
2-(2-butoxyethoxy)ethanol	720.73
sec-butyl acetate	675.77
tert-butyl acetate	984.98
decalin	442.99
glycerin	236.33
diglyme	1314.3
acrylic acid	557.28
isopropyl myristate	415.0
n-butyric acid	1485.54
acetyl acetate	652.69
di(2-ethylhexyl) phthalate	322.9
ethyl propionate	764.64
nitromethane	1054.19
1,2-diethoxyethane	1340.7
benzonitrile	1247.8
trioctyl phosphate	271.08
1-bromopropane	2301.11
gamma-valerolactone	2284.92
n-decanol	401.91
triethyl phosphate	335.5
4-methyl-2-pentanol	732.01
propionitrile	1888.38
vinylene carbonate	1082.06
1,1,2-trichlorotrifluoroethane	1153.69
DMS	625.39
cumene	525.24
2-octanol	585.19
2-hexanone	1152.93
octyl acetate	528.39
limonene	771.97
1,2-dimethoxyethane	1983.91
ethyl orthosilicate	375.13
tributyl phosphate	313.7
diacetone alcohol	830.41
N,N-dimethylaniline	687.95
acrylonitrile	1482.05
aniline	1255.29
1,3-propanediol	742.95
bromobenzene	1932.67
dibromomethane	2969.6
1,1,2,2-tetrachloroethane	3282.15
2-methyl-cyclohexyl acetate	668.12
tetrabutyl urea	401.47
diisobutyl methanol	508.19
2-phenylethanol	973.89
styrene	951.14
dioctyl adipate	442.33
dimethyl sulfate	422.75
ethyl butyrate	837.95
methyl lactate	306.66
butyl lactate	488.16
diethyl carbonate	506.14
propanediol butyl ether	520.79
triethyl orthoformate	586.54
p-tert-butyltoluene	461.47
methyl 4-tert-butylbenzoate	587.09
morpholine	3270.86
tert-butylamine	1603.5
n-dodecanol	290.68
dimethoxymethane	1234.39
ethylene carbonate	991.53
cyrene	464.2
2-ethoxyethyl acetate	851.93
2-ethylhexyl acetate	1206.94
1,2,4-trichlorobenzene	1364.46
4-methylpyridine	2599.1
dibutyl ether	932.68
2,6-dimethyl-4-heptanol	508.19
DEF	1540.63
dimethyl isosorbide	949.23
tetrachloroethylene	2377.29
eugenol	575.78
triacetin	541.66
span 80	533.29
1,4-butanediol	294.8
1,1-dichloroethane	2977.47
2-methyl-1-pentanol	1121.01
methyl formate	625.29
2-methyl-1-butanol	1700.42
n-decane	197.33
butyronitrile	2170.64
3,7-dimethyl-1-octanol	616.98
1-chlorooctane	652.51
1-chlorotetradecane	230.54
n-nonane	215.92
undecane	133.23
tert-butylcyclohexane	391.91
cyclooctane	430.66
cyclopentanol	1428.7
tetrahydropyran	4116.45
tert-amyl methyl ether	1588.25
2,5,8-trioxanonane	752.81
1-hexene	1895.56
2-isopropoxyethanol	635.55
2,2,2-trifluoroethanol	251.37
methyl butyrate	1130.55

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