Molecular formula
C12H20O2

SMILES
CC1CCC(C=C1)(C(C)C)OC(=O)C

Fragrance
Herbal	70.26%
Floral	69.15%
Sweet	67.3%
Woody	53.94%
Fruity	46.46%
Spicy	46.15%
Mint	44.84%
Fresh	41.57%
Balsamic	33.0%
Citrus	31.96%

 

Flavor
Sweet	58.04%
Fruity	58.03%
Herbal	54.01%
Woody	42.75%
Tropical	42.5%
Minty	40.16%
Mint	39.5%
Floral	34.99%
Raspberry	33.1%
Fruit	32.7%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
8.83 (weak base)

Molecular weight
196.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
219°C

Flash point

• 101.15 ˚C est.

• SCHEMBL754806
• NS00125882

For (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate, practical applications are concentrated in fragrance and cosmetics: it is used as a fragrance ingredient in perfumery and personal care products; it may be employed in household and cleaning products to impart a fragrance; it can serve as an intermediate in fragrance synthesis and may be used as a fragrance additive in coatings, inks, and related substrates; these uses are typically subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	442.65
methanol	475.2
isopropanol	544.85
water	0.55
ethyl acetate	362.8
n-propanol	477.41
acetone	431.04
n-butanol	488.26
acetonitrile	310.87
DMF	697.11
toluene	538.32
isobutanol	470.04
1,4-dioxane	799.07
methyl acetate	394.63
THF	1099.71
2-butanone	514.45
n-pentanol	377.61
sec-butanol	577.64
n-hexane	162.22
ethylene glycol	76.53
NMP	655.69
cyclohexane	230.45
DMSO	450.79
n-butyl acetate	400.92
n-octanol	290.32
chloroform	1633.24
n-propyl acetate	240.26
acetic acid	206.59
dichloromethane	1104.82
cyclohexanone	800.48
propylene glycol	153.61
isopropyl acetate	280.66
DMAc	710.27
2-ethoxyethanol	295.16
isopentanol	482.96
n-heptane	61.42
ethyl formate	227.43
1,2-dichloroethane	647.89
n-hexanol	558.42
2-methoxyethanol	448.83
isobutyl acetate	209.32
tetrachloromethane	289.76
n-pentyl acetate	290.8
transcutol	727.53
n-heptanol	254.92
ethylbenzene	296.18
MIBK	311.67
2-propoxyethanol	536.54
tert-butanol	679.23
MTBE	707.49
2-butoxyethanol	301.73
propionic acid	270.11
o-xylene	350.44
formic acid	64.11
diethyl ether	509.4
m-xylene	382.47
p-xylene	372.85
chlorobenzene	521.24
dimethyl carbonate	143.32
n-octane	39.47
formamide	80.16
cyclopentanone	738.79
2-pentanone	422.79
anisole	396.76
cyclopentyl methyl ether	549.99
gamma-butyrolactone	658.57
1-methoxy-2-propanol	415.05
pyridine	610.25
3-pentanone	347.56
furfural	539.46
n-dodecane	35.77
diethylene glycol	314.93
diisopropyl ether	200.39
tert-amyl alcohol	611.38
acetylacetone	359.84
n-hexadecane	41.43
acetophenone	319.62
methyl propionate	302.33
isopentyl acetate	397.03
trichloroethylene	1116.67
n-nonanol	242.73
cyclohexanol	562.83
benzyl alcohol	305.03
2-ethylhexanol	312.0
isooctanol	214.3
dipropyl ether	235.23
1,2-dichlorobenzene	442.94
ethyl lactate	146.73
propylene carbonate	412.51
n-methylformamide	226.54
2-pentanol	397.15
n-pentane	130.01
1-propoxy-2-propanol	376.9
1-methoxy-2-propyl acetate	353.9
2-(2-methoxypropoxy) propanol	298.26
mesitylene	249.79
ε-caprolactone	652.07
p-cymene	178.77
epichlorohydrin	760.22
1,1,1-trichloroethane	786.55
2-aminoethanol	181.48
morpholine-4-carbaldehyde	626.31
sulfolane	701.82
2,2,4-trimethylpentane	78.13
2-methyltetrahydrofuran	879.1
n-hexyl acetate	460.68
isooctane	59.03
2-(2-butoxyethoxy)ethanol	370.46
sec-butyl acetate	219.9
tert-butyl acetate	324.82
decalin	113.5
glycerin	165.41
diglyme	551.93
acrylic acid	204.83
isopropyl myristate	181.01
n-butyric acid	382.83
acetyl acetate	227.11
di(2-ethylhexyl) phthalate	184.99
ethyl propionate	234.77
nitromethane	278.41
1,2-diethoxyethane	336.12
benzonitrile	427.62
trioctyl phosphate	138.61
1-bromopropane	652.46
gamma-valerolactone	748.92
n-decanol	179.34
triethyl phosphate	135.2
4-methyl-2-pentanol	257.0
propionitrile	391.11
vinylene carbonate	378.51
1,1,2-trichlorotrifluoroethane	431.87
DMS	303.53
cumene	217.63
2-octanol	217.52
2-hexanone	338.43
octyl acetate	234.1
limonene	250.51
1,2-dimethoxyethane	544.84
ethyl orthosilicate	136.06
tributyl phosphate	156.39
diacetone alcohol	339.37
N,N-dimethylaniline	298.39
acrylonitrile	369.55
aniline	416.76
1,3-propanediol	262.62
bromobenzene	608.69
dibromomethane	871.09
1,1,2,2-tetrachloroethane	1048.31
2-methyl-cyclohexyl acetate	253.2
tetrabutyl urea	191.03
diisobutyl methanol	162.0
2-phenylethanol	367.59
styrene	322.54
dioctyl adipate	212.64
dimethyl sulfate	232.37
ethyl butyrate	231.25
methyl lactate	170.42
butyl lactate	219.7
diethyl carbonate	169.83
propanediol butyl ether	324.6
triethyl orthoformate	171.81
p-tert-butyltoluene	180.39
methyl 4-tert-butylbenzoate	311.26
morpholine	859.16
tert-butylamine	515.58
n-dodecanol	135.15
dimethoxymethane	406.32
ethylene carbonate	325.99
cyrene	261.1
2-ethoxyethyl acetate	312.89
2-ethylhexyl acetate	332.62
1,2,4-trichlorobenzene	512.8
4-methylpyridine	750.85
dibutyl ether	253.11
2,6-dimethyl-4-heptanol	162.0
DEF	406.63
dimethyl isosorbide	440.0
tetrachloroethylene	641.47
eugenol	293.97
triacetin	319.28
span 80	300.83
1,4-butanediol	135.18
1,1-dichloroethane	876.52
2-methyl-1-pentanol	384.68
methyl formate	180.86
2-methyl-1-butanol	482.31
n-decane	58.75
butyronitrile	448.75
3,7-dimethyl-1-octanol	274.42
1-chlorooctane	221.94
1-chlorotetradecane	91.92
n-nonane	58.75
undecane	44.64
tert-butylcyclohexane	106.1
cyclooctane	79.97
cyclopentanol	524.3
tetrahydropyran	924.25
tert-amyl methyl ether	493.72
2,5,8-trioxanonane	388.94
1-hexene	389.39
2-isopropoxyethanol	268.09
2,2,2-trifluoroethanol	82.97
methyl butyrate	309.23

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