Molecular formula
C9H12O

SMILES
CC1=C(C(=O)CC1)CC=C

Fragrance
Fruity	84.55%
Herbal	50.69%
Mint	44.39%
Spicy	43.52%
Woody	42.55%
Sweet	41.14%
Floral	36.96%
Caramellic	34.13%
Green	33.69%
Tobacco	30.75%

 

Flavor
Herbal	45.62%
Minty	41.33%
Spicy	41.28%
Spice	37.75%
Woody	34.3%
Mint	31.44%
Phenolic	28.49%
Fresh	26.82%
Floral	26.32%
Celery	24.58%

 

Odor impact est.
High

XLogP3-AA
1.5

pKa est.
7.92 (neutral)

Molecular weight
136.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
211°C

Flash point

• 71.35 ˚C est.

• 2-allyl-3-methylcyclopent-2-en-1-one
• SCHEMBL4396504
• 2-cyclopenten-1-one, 3-methyl-2-(2-propenyl)-
• InChI=1/C9H12O/c1-3-4-8-7(2)5-6-9(8)10/h3H,1,4-6H2,2H

2-Allyl-3-methylcyclopent-2-en-1-one is used as an aroma-chemical and fragrance intermediate in perfumery, where its cyclopentenone ring and allyl substituent impart distinctive notes and provide a versatile building block for synthesizing more complex fragrance ingredients; it is also employed in cosmetics and personal care as a fragrance component, and in household products as a scent additive. In flavor applications, it may be evaluated for aroma contributions in specialty formulations. In industrial manufacturing, it can serve as a precursor for the synthesis of fragrance compounds and related specialty chemicals, and it may be incorporated into coatings or inks to impart fragrance in consumer products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	878.5
methanol	939.34
isopropanol	868.4
water	7.44
ethyl acetate	702.05
n-propanol	839.79
acetone	930.51
n-butanol	749.01
acetonitrile	922.58
DMF	1244.69
toluene	412.02
isobutanol	713.49
1,4-dioxane	1336.63
methyl acetate	861.6
THF	1188.64
2-butanone	931.19
n-pentanol	545.73
sec-butanol	801.77
n-hexane	120.72
ethylene glycol	228.29
NMP	842.32
cyclohexane	112.04
DMSO	771.84
n-butyl acetate	441.58
n-octanol	365.23
chloroform	2280.16
n-propyl acetate	440.07
acetic acid	428.14
dichloromethane	1688.54
cyclohexanone	943.34
propylene glycol	335.99
isopropyl acetate	457.18
DMAc	819.51
2-ethoxyethanol	693.56
isopentanol	672.87
n-heptane	60.34
ethyl formate	477.52
1,2-dichloroethane	1017.19
n-hexanol	544.19
2-methoxyethanol	951.22
isobutyl acetate	310.83
tetrachloromethane	398.94
n-pentyl acetate	348.6
transcutol	1487.55
n-heptanol	310.56
ethylbenzene	313.47
MIBK	458.85
2-propoxyethanol	831.88
tert-butanol	863.61
MTBE	751.93
2-butoxyethanol	494.12
propionic acid	573.43
o-xylene	315.18
formic acid	171.68
diethyl ether	695.11
m-xylene	324.9
p-xylene	411.81
chlorobenzene	589.47
dimethyl carbonate	272.86
n-octane	43.64
formamide	276.86
cyclopentanone	1021.94
2-pentanone	670.47
anisole	636.39
cyclopentyl methyl ether	598.84
gamma-butyrolactone	988.24
1-methoxy-2-propanol	814.84
pyridine	920.74
3-pentanone	519.99
furfural	854.03
n-dodecane	42.14
diethylene glycol	584.65
diisopropyl ether	227.24
tert-amyl alcohol	739.08
acetylacetone	664.76
n-hexadecane	47.04
acetophenone	481.46
methyl propionate	558.46
isopentyl acetate	430.34
trichloroethylene	1775.02
n-nonanol	298.2
cyclohexanol	548.35
benzyl alcohol	451.62
2-ethylhexanol	326.57
isooctanol	266.71
dipropyl ether	296.86
1,2-dichlorobenzene	525.01
ethyl lactate	250.16
propylene carbonate	557.52
n-methylformamide	604.49
2-pentanol	549.15
n-pentane	95.32
1-propoxy-2-propanol	533.35
1-methoxy-2-propyl acetate	435.62
2-(2-methoxypropoxy) propanol	419.24
mesitylene	214.19
ε-caprolactone	768.99
p-cymene	166.75
epichlorohydrin	1264.2
1,1,1-trichloroethane	1127.07
2-aminoethanol	463.8
morpholine-4-carbaldehyde	965.84
sulfolane	917.63
2,2,4-trimethylpentane	68.13
2-methyltetrahydrofuran	951.3
n-hexyl acetate	557.96
isooctane	61.57
2-(2-butoxyethoxy)ethanol	580.77
sec-butyl acetate	346.19
tert-butyl acetate	480.67
decalin	95.34
glycerin	377.78
diglyme	982.08
acrylic acid	444.58
isopropyl myristate	210.95
n-butyric acid	645.11
acetyl acetate	398.32
di(2-ethylhexyl) phthalate	182.6
ethyl propionate	401.16
nitromethane	903.41
1,2-diethoxyethane	542.48
benzonitrile	583.19
trioctyl phosphate	140.24
1-bromopropane	742.16
gamma-valerolactone	1158.46
n-decanol	218.31
triethyl phosphate	163.46
4-methyl-2-pentanol	340.83
propionitrile	770.83
vinylene carbonate	524.27
1,1,2-trichlorotrifluoroethane	709.7
DMS	398.06
cumene	235.23
2-octanol	259.82
2-hexanone	513.65
octyl acetate	264.6
limonene	216.46
1,2-dimethoxyethane	1007.35
ethyl orthosilicate	165.67
tributyl phosphate	165.0
diacetone alcohol	545.52
N,N-dimethylaniline	393.77
acrylonitrile	866.37
aniline	511.03
1,3-propanediol	580.88
bromobenzene	638.73
dibromomethane	1184.42
1,1,2,2-tetrachloroethane	1397.49
2-methyl-cyclohexyl acetate	276.24
tetrabutyl urea	204.55
diisobutyl methanol	188.8
2-phenylethanol	429.52
styrene	378.83
dioctyl adipate	244.46
dimethyl sulfate	386.59
ethyl butyrate	321.98
methyl lactate	320.44
butyl lactate	260.41
diethyl carbonate	232.08
propanediol butyl ether	459.9
triethyl orthoformate	216.56
p-tert-butyltoluene	160.87
methyl 4-tert-butylbenzoate	376.16
morpholine	1239.83
tert-butylamine	576.5
n-dodecanol	167.95
dimethoxymethane	717.1
ethylene carbonate	433.26
cyrene	345.16
2-ethoxyethyl acetate	415.76
2-ethylhexyl acetate	317.17
1,2,4-trichlorobenzene	586.91
4-methylpyridine	971.49
dibutyl ether	343.67
2,6-dimethyl-4-heptanol	188.8
DEF	684.93
dimethyl isosorbide	548.63
tetrachloroethylene	900.24
eugenol	412.06
triacetin	382.64
span 80	355.47
1,4-butanediol	308.26
1,1-dichloroethane	1325.21
2-methyl-1-pentanol	510.23
methyl formate	477.88
2-methyl-1-butanol	658.42
n-decane	67.7
butyronitrile	724.52
3,7-dimethyl-1-octanol	307.17
1-chlorooctane	241.73
1-chlorotetradecane	101.89
n-nonane	67.65
undecane	51.96
tert-butylcyclohexane	105.96
cyclooctane	46.52
cyclopentanol	608.11
tetrahydropyran	949.62
tert-amyl methyl ether	497.58
2,5,8-trioxanonane	596.96
1-hexene	375.25
2-isopropoxyethanol	541.77
2,2,2-trifluoroethanol	231.7
methyl butyrate	524.97

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