Molecular formula
C7H8O2

SMILES
CCC1=COC(=O)C=C1

Fragrance
Sweet	83.07%
Caramellic	53.95%
Nutty	46.46%
Coconut	41.77%
Coumarinic	40.75%
Burnt	37.74%
Spicy	36.09%
Creamy	35.02%
Fruity	34.97%
Musty	34.49%

 

Flavor
Sweet	80.06%
Almond	48.02%
Woody	44.02%
Tonka	43.49%
Coconut	40.82%
Caramel	39.1%
Creamy	38.96%
Green	37.39%
Fruity	36.98%
Tobacco	35.45%

 

Odor impact est.
High

XLogP3-AA
1.1

pKa est.
6.4 (neutral)

Molecular weight
124.14 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
200°C

Flash point

• 75.17 ˚C est.

• SCHEMBL982165

5-Ethylpyran-2-one is primarily used as an aroma compound (odorant) in perfumery and flavor formulations, contributing fruity and sweet notes; it is commonly evaluated as an intermediate for synthesizing other fragrance ingredients; it may be employed in cosmetics and personal care formulations as a fragrance ingredient; it is present in household products such as cleaners and air fresheners to impart fragrance; and it serves as an intermediate in industrial manufacturing for fragrance-related chemicals and related compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	439.79
methanol	474.58
isopropanol	224.75
water	0.53
ethyl acetate	1045.79
n-propanol	295.29
acetone	1047.26
n-butanol	252.96
acetonitrile	770.08
DMF	2117.95
toluene	169.85
isobutanol	197.82
1,4-dioxane	847.1
methyl acetate	996.83
THF	1174.63
2-butanone	917.78
n-pentanol	159.96
sec-butanol	237.46
n-hexane	6.7
ethylene glycol	82.3
NMP	1775.03
cyclohexane	13.18
DMSO	1782.65
n-butyl acetate	431.84
n-octanol	82.18
chloroform	787.95
n-propyl acetate	347.76
acetic acid	555.43
dichloromethane	1573.28
cyclohexanone	918.94
propylene glycol	89.04
isopropyl acetate	383.06
DMAc	1227.03
2-ethoxyethanol	318.83
isopentanol	233.02
n-heptane	8.55
ethyl formate	507.33
1,2-dichloroethane	1169.35
n-hexanol	187.48
2-methoxyethanol	624.03
isobutyl acetate	168.29
tetrachloromethane	77.25
n-pentyl acetate	205.53
transcutol	1593.79
n-heptanol	79.71
ethylbenzene	78.34
MIBK	277.94
2-propoxyethanol	377.56
tert-butanol	329.93
MTBE	358.89
2-butoxyethanol	209.66
propionic acid	432.15
o-xylene	119.37
formic acid	224.47
diethyl ether	405.91
m-xylene	114.79
p-xylene	113.6
chlorobenzene	390.5
dimethyl carbonate	349.99
n-octane	4.29
formamide	682.95
cyclopentanone	1420.48
2-pentanone	638.84
anisole	306.01
cyclopentyl methyl ether	428.28
gamma-butyrolactone	1779.7
1-methoxy-2-propanol	402.89
pyridine	948.57
3-pentanone	476.21
furfural	1224.11
n-dodecane	5.79
diethylene glycol	283.65
diisopropyl ether	88.69
tert-amyl alcohol	298.99
acetylacetone	775.14
n-hexadecane	6.86
acetophenone	310.81
methyl propionate	824.08
isopentyl acetate	341.48
trichloroethylene	2092.94
n-nonanol	74.49
cyclohexanol	198.19
benzyl alcohol	202.11
2-ethylhexanol	116.59
isooctanol	71.81
dipropyl ether	126.69
1,2-dichlorobenzene	364.88
ethyl lactate	122.59
propylene carbonate	679.08
n-methylformamide	999.61
2-pentanol	163.07
n-pentane	7.35
1-propoxy-2-propanol	244.83
1-methoxy-2-propyl acetate	402.77
2-(2-methoxypropoxy) propanol	259.39
mesitylene	70.64
ε-caprolactone	780.46
p-cymene	66.32
epichlorohydrin	1950.42
1,1,1-trichloroethane	638.0
2-aminoethanol	169.1
morpholine-4-carbaldehyde	1132.21
sulfolane	1635.59
2,2,4-trimethylpentane	11.14
2-methyltetrahydrofuran	890.85
n-hexyl acetate	294.06
isooctane	8.86
2-(2-butoxyethoxy)ethanol	371.5
sec-butyl acetate	211.47
tert-butyl acetate	395.19
decalin	14.64
glycerin	124.08
diglyme	770.66
acrylic acid	386.14
isopropyl myristate	99.97
n-butyric acid	494.11
acetyl acetate	501.68
di(2-ethylhexyl) phthalate	106.58
ethyl propionate	339.63
nitromethane	1989.84
1,2-diethoxyethane	409.36
benzonitrile	353.97
trioctyl phosphate	71.34
1-bromopropane	336.2
gamma-valerolactone	1425.16
n-decanol	56.63
triethyl phosphate	111.19
4-methyl-2-pentanol	93.9
propionitrile	486.49
vinylene carbonate	621.6
1,1,2-trichlorotrifluoroethane	617.11
DMS	341.33
cumene	60.47
2-octanol	58.97
2-hexanone	288.25
octyl acetate	136.56
limonene	101.41
1,2-dimethoxyethane	591.1
ethyl orthosilicate	99.25
tributyl phosphate	101.07
diacetone alcohol	410.72
N,N-dimethylaniline	172.82
acrylonitrile	748.41
aniline	278.24
1,3-propanediol	245.92
bromobenzene	413.17
dibromomethane	676.69
1,1,2,2-tetrachloroethane	1110.04
2-methyl-cyclohexyl acetate	187.84
tetrabutyl urea	126.94
diisobutyl methanol	68.08
2-phenylethanol	210.33
styrene	117.21
dioctyl adipate	160.89
dimethyl sulfate	537.8
ethyl butyrate	256.61
methyl lactate	215.69
butyl lactate	140.58
diethyl carbonate	187.59
propanediol butyl ether	184.07
triethyl orthoformate	147.5
p-tert-butyltoluene	64.82
methyl 4-tert-butylbenzoate	227.68
morpholine	1012.59
tert-butylamine	156.01
n-dodecanol	43.06
dimethoxymethane	809.15
ethylene carbonate	476.7
cyrene	238.05
2-ethoxyethyl acetate	396.66
2-ethylhexyl acetate	269.06
1,2,4-trichlorobenzene	436.34
4-methylpyridine	825.74
dibutyl ether	118.25
2,6-dimethyl-4-heptanol	68.08
DEF	892.88
dimethyl isosorbide	492.17
tetrachloroethylene	591.03
eugenol	221.28
triacetin	294.85
span 80	191.16
1,4-butanediol	85.85
1,1-dichloroethane	807.56
2-methyl-1-pentanol	168.53
methyl formate	741.86
2-methyl-1-butanol	215.76
n-decane	7.76
butyronitrile	390.77
3,7-dimethyl-1-octanol	98.29
1-chlorooctane	55.82
1-chlorotetradecane	24.86
n-nonane	6.49
undecane	6.7
tert-butylcyclohexane	15.03
cyclooctane	4.45
cyclopentanol	267.12
tetrahydropyran	614.97
tert-amyl methyl ether	257.72
2,5,8-trioxanonane	505.05
1-hexene	48.11
2-isopropoxyethanol	210.36
2,2,2-trifluoroethanol	188.71
methyl butyrate	439.48

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