Molecular formula
C8H12O

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

Fragrance
Green	80.03%
Fruity	72.16%
Fatty	63.3%
Earthy	58.32%
Herbal	57.98%
Spicy	54.9%
Sweet	54.85%
Nutty	51.73%
Vegetable	49.92%
Oily	48.25%

 

Flavor
Green	65.73%
Fruity	54.84%
Sweet	43.65%
Fatty	43.06%
Spicy	40.43%
Grassy	33.24%
Vegetable	32.21%
Fruit	32.15%
Fat	30.11%
Floral	29.43%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
8.96 (weak base)

Molecular weight
124.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
177°C

Flash point

• 59.39 ˚C est.

• (3E,5E)-Octadien-2-one
• (3E,5E)-3,5-Octadien-2-one
• (3E,6E)-octa-3,6-dien-2-one
• TD4E94AD7V
• FEMA No. 4008
• UNII-TD4E94AD7V
• 3,5-Octadien-2-one, (3E,5E)-
• (E,E)-3,5-Octadien-2-one [FHFI]
• SCHEMBL3509181
• SCHEMBL5668061
• Q27289911

The compound (3E,5E)-Octadien-2-one is primarily used as an odorant and a synthetic intermediate, with real-world applications across several industries. In perfumery/fragrance, it is used as an aroma component or as an intermediate for synthesizing other fragrance compounds. In flavor applications, it may serve as an aroma ingredient for food or beverage products. In cosmetics and personal care, it can be incorporated into formulations to impart and enhance scent. In household products, it may be added to impart fragrance to cleaning and maintenance products. In industrial manufacturing, it is viewed as an intermediate for the synthesis of fragrance-related compounds and to improve the odor profile of formulations. In coatings and inks, it can be used as a fragrance additive to elevate the odor characteristics of these products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1413.46
methanol	1701.81
isopropanol	981.81
water	3.92
ethyl acetate	772.07
n-propanol	1110.02
acetone	1560.57
n-butanol	1039.22
acetonitrile	920.16
DMF	1874.29
toluene	456.86
isobutanol	756.3
1,4-dioxane	1355.27
methyl acetate	838.26
THF	1644.57
2-butanone	1135.02
n-pentanol	717.71
sec-butanol	933.42
n-hexane	491.52
ethylene glycol	413.54
NMP	1670.23
cyclohexane	309.42
DMSO	1753.93
n-butyl acetate	581.95
n-octanol	342.74
chloroform	2001.13
n-propyl acetate	475.87
acetic acid	1229.33
dichloromethane	1345.34
cyclohexanone	1303.15
propylene glycol	600.39
isopropyl acetate	457.77
DMAc	1445.28
2-ethoxyethanol	737.15
isopentanol	805.76
n-heptane	127.9
ethyl formate	407.73
1,2-dichloroethane	919.76
n-hexanol	783.05
2-methoxyethanol	1275.25
isobutyl acetate	326.01
tetrachloromethane	424.75
n-pentyl acetate	336.97
transcutol	2794.87
n-heptanol	264.22
ethylbenzene	269.15
MIBK	439.54
2-propoxyethanol	967.89
tert-butanol	1177.42
MTBE	1049.25
2-butoxyethanol	431.51
propionic acid	996.46
o-xylene	282.27
formic acid	453.11
diethyl ether	1097.72
m-xylene	288.96
p-xylene	305.34
chlorobenzene	573.58
dimethyl carbonate	253.67
n-octane	38.35
formamide	528.31
cyclopentanone	1416.59
2-pentanone	871.04
anisole	523.12
cyclopentyl methyl ether	937.78
gamma-butyrolactone	1291.47
1-methoxy-2-propanol	955.73
pyridine	1150.47
3-pentanone	686.16
furfural	946.81
n-dodecane	26.68
diethylene glycol	699.4
diisopropyl ether	278.42
tert-amyl alcohol	1073.35
acetylacetone	754.1
n-hexadecane	30.08
acetophenone	431.25
methyl propionate	641.62
isopentyl acetate	512.91
trichloroethylene	1649.34
n-nonanol	268.46
cyclohexanol	906.8
benzyl alcohol	405.19
2-ethylhexanol	418.37
isooctanol	210.05
dipropyl ether	452.25
1,2-dichlorobenzene	473.94
ethyl lactate	247.25
propylene carbonate	645.31
n-methylformamide	778.78
2-pentanol	700.53
n-pentane	262.03
1-propoxy-2-propanol	649.77
1-methoxy-2-propyl acetate	525.63
2-(2-methoxypropoxy) propanol	513.96
mesitylene	189.28
ε-caprolactone	950.85
p-cymene	144.48
epichlorohydrin	1143.68
1,1,1-trichloroethane	1025.15
2-aminoethanol	768.65
morpholine-4-carbaldehyde	1211.88
sulfolane	1561.3
2,2,4-trimethylpentane	112.67
2-methyltetrahydrofuran	1472.31
n-hexyl acetate	561.79
isooctane	74.68
2-(2-butoxyethoxy)ethanol	692.96
sec-butyl acetate	344.76
tert-butyl acetate	540.59
decalin	152.94
glycerin	671.52
diglyme	1055.86
acrylic acid	848.53
isopropyl myristate	187.01
n-butyric acid	974.85
acetyl acetate	428.61
di(2-ethylhexyl) phthalate	199.56
ethyl propionate	434.62
nitromethane	1303.23
1,2-diethoxyethane	736.89
benzonitrile	526.24
trioctyl phosphate	133.13
1-bromopropane	810.34
gamma-valerolactone	1325.01
n-decanol	186.32
triethyl phosphate	179.75
4-methyl-2-pentanol	340.88
propionitrile	756.23
vinylene carbonate	551.4
1,1,2-trichlorotrifluoroethane	1082.92
DMS	436.84
cumene	179.18
2-octanol	192.61
2-hexanone	666.69
octyl acetate	242.15
limonene	268.4
1,2-dimethoxyethane	1094.26
ethyl orthosilicate	190.58
tributyl phosphate	193.47
diacetone alcohol	635.65
N,N-dimethylaniline	359.27
acrylonitrile	799.19
aniline	663.27
1,3-propanediol	745.65
bromobenzene	580.56
dibromomethane	1090.63
1,1,2,2-tetrachloroethane	1529.24
2-methyl-cyclohexyl acetate	325.22
tetrabutyl urea	242.74
diisobutyl methanol	209.36
2-phenylethanol	402.03
styrene	377.2
dioctyl adipate	280.78
dimethyl sulfate	452.12
ethyl butyrate	355.62
methyl lactate	363.83
butyl lactate	306.95
diethyl carbonate	231.03
propanediol butyl ether	556.18
triethyl orthoformate	266.87
p-tert-butyltoluene	145.32
methyl 4-tert-butylbenzoate	343.37
morpholine	1679.42
tert-butylamine	817.52
n-dodecanol	135.06
dimethoxymethane	712.69
ethylene carbonate	472.01
cyrene	413.79
2-ethoxyethyl acetate	440.68
2-ethylhexyl acetate	415.56
1,2,4-trichlorobenzene	579.55
4-methylpyridine	1059.6
dibutyl ether	432.36
2,6-dimethyl-4-heptanol	209.36
DEF	1001.34
dimethyl isosorbide	649.18
tetrachloroethylene	998.17
eugenol	345.92
triacetin	494.58
span 80	474.8
1,4-butanediol	337.31
1,1-dichloroethane	1038.77
2-methyl-1-pentanol	629.64
methyl formate	489.83
2-methyl-1-butanol	835.79
n-decane	49.98
butyronitrile	733.11
3,7-dimethyl-1-octanol	343.86
1-chlorooctane	222.69
1-chlorotetradecane	74.46
n-nonane	54.82
undecane	35.17
tert-butylcyclohexane	143.75
cyclooctane	96.97
cyclopentanol	897.72
tetrahydropyran	1457.04
tert-amyl methyl ether	776.3
2,5,8-trioxanonane	723.44
1-hexene	937.69
2-isopropoxyethanol	523.0
2,2,2-trifluoroethanol	345.68
methyl butyrate	553.21

Scent© AI