Molecular formula
C8H12O

SMILES
CC=CC=CCC(=O)C

Fragrance
Green	77.64%
Fruity	70.83%
Fatty	55.31%
Herbal	51.63%
Earthy	49.38%
Sweet	47.54%
Spicy	46.77%
Vegetable	44.18%
Nutty	43.91%
Tropical	43.15%

 

Flavor
Green	53.59%
Fruity	39.3%
Spicy	36.43%
Fatty	34.26%
Sweet	33.62%
Floral	30.03%
Oily	27.22%
Grassy	27.06%
Vegetable	26.89%
Citrus	26.69%

 

Odor impact est.
High

XLogP3-AA
1.6

pKa est.
9.09 (weak base)

Molecular weight
124.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
186°C

Flash point

• 58.42 ˚C est.

Octa-4,6-dien-2-one is an enone that serves mainly as an intermediate in organic synthesis; typical applications include production steps for pharmaceuticals, agrochemicals, and specialty chemicals; it may function as a fragrance or flavor precursor in fragrance and flavor chemistry; it is used as a building block in polymers and coatings and can participate in reactions as a dienophile or Michael-type acceptor to form new bonds; it is also used in research and development as a versatile starting material for material science applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1314.27
methanol	1638.76
isopropanol	984.83
water	6.98
ethyl acetate	631.64
n-propanol	1043.29
acetone	1518.79
n-butanol	956.43
acetonitrile	842.5
DMF	1918.28
toluene	393.38
isobutanol	717.05
1,4-dioxane	1176.39
methyl acetate	819.99
THF	1394.54
2-butanone	1088.07
n-pentanol	658.46
sec-butanol	899.05
n-hexane	428.01
ethylene glycol	486.38
NMP	1582.93
cyclohexane	252.44
DMSO	1601.56
n-butyl acetate	466.31
n-octanol	345.37
chloroform	1779.08
n-propyl acetate	415.68
acetic acid	1180.68
dichloromethane	1166.37
cyclohexanone	1149.13
propylene glycol	721.76
isopropyl acetate	393.19
DMAc	1616.35
2-ethoxyethanol	749.51
isopentanol	751.5
n-heptane	121.21
ethyl formate	369.13
1,2-dichloroethane	759.0
n-hexanol	703.33
2-methoxyethanol	1289.15
isobutyl acetate	297.12
tetrachloromethane	377.51
n-pentyl acetate	303.98
transcutol	2503.23
n-heptanol	260.54
ethylbenzene	250.63
MIBK	421.18
2-propoxyethanol	891.31
tert-butanol	1145.48
MTBE	912.43
2-butoxyethanol	430.54
propionic acid	959.27
o-xylene	262.11
formic acid	448.28
diethyl ether	899.41
m-xylene	254.93
p-xylene	285.35
chlorobenzene	477.64
dimethyl carbonate	261.81
n-octane	36.71
formamide	505.14
cyclopentanone	1285.8
2-pentanone	770.52
anisole	485.38
cyclopentyl methyl ether	814.12
gamma-butyrolactone	1145.52
1-methoxy-2-propanol	993.22
pyridine	932.95
3-pentanone	635.64
furfural	872.55
n-dodecane	28.22
diethylene glycol	694.71
diisopropyl ether	241.17
tert-amyl alcohol	1005.19
acetylacetone	680.75
n-hexadecane	31.39
acetophenone	423.78
methyl propionate	597.44
isopentyl acetate	418.09
trichloroethylene	1409.31
n-nonanol	272.75
cyclohexanol	813.45
benzyl alcohol	395.24
2-ethylhexanol	383.67
isooctanol	205.62
dipropyl ether	392.46
1,2-dichlorobenzene	414.91
ethyl lactate	252.63
propylene carbonate	597.67
n-methylformamide	769.09
2-pentanol	661.8
n-pentane	230.21
1-propoxy-2-propanol	618.13
1-methoxy-2-propyl acetate	458.15
2-(2-methoxypropoxy) propanol	502.87
mesitylene	167.77
ε-caprolactone	844.26
p-cymene	136.11
epichlorohydrin	984.41
1,1,1-trichloroethane	900.16
2-aminoethanol	798.11
morpholine-4-carbaldehyde	1222.2
sulfolane	1393.08
2,2,4-trimethylpentane	103.99
2-methyltetrahydrofuran	1220.87
n-hexyl acetate	529.71
isooctane	66.95
2-(2-butoxyethoxy)ethanol	669.61
sec-butyl acetate	306.19
tert-butyl acetate	465.96
decalin	136.57
glycerin	770.71
diglyme	998.41
acrylic acid	836.08
isopropyl myristate	180.58
n-butyric acid	872.28
acetyl acetate	372.31
di(2-ethylhexyl) phthalate	195.2
ethyl propionate	389.43
nitromethane	1255.59
1,2-diethoxyethane	601.48
benzonitrile	470.21
trioctyl phosphate	132.63
1-bromopropane	675.56
gamma-valerolactone	1220.44
n-decanol	192.77
triethyl phosphate	165.73
4-methyl-2-pentanol	327.74
propionitrile	672.74
vinylene carbonate	516.15
1,1,2-trichlorotrifluoroethane	1078.37
DMS	410.65
cumene	170.88
2-octanol	190.37
2-hexanone	592.35
octyl acetate	240.25
limonene	250.68
1,2-dimethoxyethane	1040.69
ethyl orthosilicate	174.58
tributyl phosphate	184.02
diacetone alcohol	622.48
N,N-dimethylaniline	350.36
acrylonitrile	749.34
aniline	576.92
1,3-propanediol	776.08
bromobenzene	465.16
dibromomethane	924.73
1,1,2,2-tetrachloroethane	1349.81
2-methyl-cyclohexyl acetate	298.6
tetrabutyl urea	239.08
diisobutyl methanol	190.15
2-phenylethanol	364.17
styrene	333.72
dioctyl adipate	270.64
dimethyl sulfate	462.6
ethyl butyrate	300.08
methyl lactate	396.65
butyl lactate	296.17
diethyl carbonate	202.09
propanediol butyl ether	589.12
triethyl orthoformate	232.57
p-tert-butyltoluene	135.81
methyl 4-tert-butylbenzoate	343.07
morpholine	1463.39
tert-butylamine	775.28
n-dodecanol	141.39
dimethoxymethane	691.07
ethylene carbonate	430.72
cyrene	417.1
2-ethoxyethyl acetate	404.05
2-ethylhexyl acetate	340.25
1,2,4-trichlorobenzene	524.65
4-methylpyridine	902.02
dibutyl ether	381.98
2,6-dimethyl-4-heptanol	190.15
DEF	918.63
dimethyl isosorbide	587.42
tetrachloroethylene	852.06
eugenol	339.96
triacetin	503.92
span 80	473.1
1,4-butanediol	357.83
1,1-dichloroethane	913.97
2-methyl-1-pentanol	570.23
methyl formate	488.0
2-methyl-1-butanol	802.51
n-decane	51.39
butyronitrile	642.78
3,7-dimethyl-1-octanol	339.31
1-chlorooctane	213.05
1-chlorotetradecane	75.29
n-nonane	55.07
undecane	36.78
tert-butylcyclohexane	136.48
cyclooctane	83.1
cyclopentanol	813.3
tetrahydropyran	1197.95
tert-amyl methyl ether	705.37
2,5,8-trioxanonane	686.49
1-hexene	792.98
2-isopropoxyethanol	525.17
2,2,2-trifluoroethanol	360.66
methyl butyrate	501.96

Scent© AI