Molecular formula
C12H18O2

SMILES
CC(C)C1=CCC(C=C1)COC(=O)C

Fragrance
Herbal	73.12%
Fruity	61.76%
Spicy	60.62%
Woody	56.06%
Floral	52.27%
Sweet	50.38%
Fresh	43.37%
Green	43.21%
Mint	37.62%
Citrus	27.53%

 

Flavor
Herbal	44.3%
Fruity	43.35%
Floral	39.03%
Spicy	33.77%
Tropical	33.32%
Mint	31.66%
Spice	29.93%
Sweet	28.32%
Minty	27.75%
Fresh	26.0%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
8.75 (weak base)

Molecular weight
194.27 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
245°C

Flash point

• 113.98 ˚C est.

• SCHEMBL873063

(4-Propan-2-ylcyclohexa-2,4-dien-1-yl)methyl acetate is typically used as an odorant and fragrance intermediate. In perfumery it helps build fragrance profiles, and in cosmetics and personal care it can serve as a fragrance ingredient; in household products such as cleaners and air fresheners it provides a scent. It can also be employed as a fragrance additive in coatings and inks to impart aroma, and may appear as an intermediate in fragrance synthesis for specialty formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	325.85
methanol	300.54
isopropanol	288.47
water	0.15
ethyl acetate	343.85
n-propanol	266.06
acetone	451.59
n-butanol	254.88
acetonitrile	314.45
DMF	529.1
toluene	265.1
isobutanol	194.01
1,4-dioxane	646.22
methyl acetate	337.63
THF	683.21
2-butanone	445.8
n-pentanol	188.05
sec-butanol	256.88
n-hexane	31.13
ethylene glycol	42.75
NMP	416.62
cyclohexane	35.57
DMSO	569.32
n-butyl acetate	234.57
n-octanol	80.23
chloroform	1203.72
n-propyl acetate	189.23
acetic acid	186.0
dichloromethane	949.6
cyclohexanone	444.09
propylene glycol	112.07
isopropyl acetate	212.1
DMAc	514.29
2-ethoxyethanol	263.0
isopentanol	233.16
n-heptane	10.05
ethyl formate	146.95
1,2-dichloroethane	534.15
n-hexanol	197.79
2-methoxyethanol	368.81
isobutyl acetate	136.85
tetrachloromethane	104.37
n-pentyl acetate	128.44
transcutol	1345.95
n-heptanol	73.7
ethylbenzene	117.42
MIBK	191.89
2-propoxyethanol	325.99
tert-butanol	368.76
MTBE	340.51
2-butoxyethanol	156.94
propionic acid	190.94
o-xylene	143.45
formic acid	52.24
diethyl ether	357.05
m-xylene	168.45
p-xylene	141.69
chlorobenzene	265.16
dimethyl carbonate	102.62
n-octane	5.25
formamide	98.2
cyclopentanone	489.22
2-pentanone	309.84
anisole	262.11
cyclopentyl methyl ether	309.25
gamma-butyrolactone	457.05
1-methoxy-2-propanol	344.91
pyridine	424.76
3-pentanone	242.26
furfural	397.55
n-dodecane	4.99
diethylene glycol	213.32
diisopropyl ether	86.29
tert-amyl alcohol	275.92
acetylacetone	305.18
n-hexadecane	5.93
acetophenone	215.2
methyl propionate	255.78
isopentyl acetate	222.71
trichloroethylene	997.2
n-nonanol	72.38
cyclohexanol	229.24
benzyl alcohol	198.92
2-ethylhexanol	112.44
isooctanol	65.64
dipropyl ether	111.65
1,2-dichlorobenzene	243.51
ethyl lactate	101.98
propylene carbonate	244.64
n-methylformamide	172.15
2-pentanol	182.16
n-pentane	21.37
1-propoxy-2-propanol	232.9
1-methoxy-2-propyl acetate	265.79
2-(2-methoxypropoxy) propanol	233.72
mesitylene	96.53
ε-caprolactone	368.36
p-cymene	63.69
epichlorohydrin	651.65
1,1,1-trichloroethane	467.52
2-aminoethanol	122.89
morpholine-4-carbaldehyde	481.6
sulfolane	520.88
2,2,4-trimethylpentane	16.74
2-methyltetrahydrofuran	523.24
n-hexyl acetate	204.2
isooctane	13.29
2-(2-butoxyethoxy)ethanol	315.57
sec-butyl acetate	152.59
tert-butyl acetate	232.04
decalin	27.14
glycerin	126.78
diglyme	513.31
acrylic acid	143.13
isopropyl myristate	76.0
n-butyric acid	249.06
acetyl acetate	184.69
di(2-ethylhexyl) phthalate	90.12
ethyl propionate	168.19
nitromethane	318.22
1,2-diethoxyethane	350.33
benzonitrile	238.68
trioctyl phosphate	55.17
1-bromopropane	330.58
gamma-valerolactone	529.74
n-decanol	53.78
triethyl phosphate	83.44
4-methyl-2-pentanol	104.59
propionitrile	242.61
vinylene carbonate	221.98
1,1,2-trichlorotrifluoroethane	385.62
DMS	203.53
cumene	83.8
2-octanol	54.85
2-hexanone	213.58
octyl acetate	97.58
limonene	88.77
1,2-dimethoxyethane	388.5
ethyl orthosilicate	82.25
tributyl phosphate	79.27
diacetone alcohol	264.0
N,N-dimethylaniline	166.02
acrylonitrile	266.47
aniline	293.41
1,3-propanediol	177.2
bromobenzene	291.46
dibromomethane	640.37
1,1,2,2-tetrachloroethane	836.06
2-methyl-cyclohexyl acetate	146.18
tetrabutyl urea	94.44
diisobutyl methanol	63.7
2-phenylethanol	178.96
styrene	154.32
dioctyl adipate	121.72
dimethyl sulfate	170.24
ethyl butyrate	149.2
methyl lactate	124.26
butyl lactate	123.41
diethyl carbonate	110.68
propanediol butyl ether	195.98
triethyl orthoformate	109.21
p-tert-butyltoluene	63.83
methyl 4-tert-butylbenzoate	165.59
morpholine	743.94
tert-butylamine	217.29
n-dodecanol	40.89
dimethoxymethane	305.68
ethylene carbonate	184.64
cyrene	191.27
2-ethoxyethyl acetate	236.92
2-ethylhexyl acetate	171.56
1,2,4-trichlorobenzene	312.13
4-methylpyridine	454.94
dibutyl ether	114.98
2,6-dimethyl-4-heptanol	63.7
DEF	290.63
dimethyl isosorbide	326.59
tetrachloroethylene	426.03
eugenol	170.52
triacetin	228.64
span 80	170.81
1,4-butanediol	81.74
1,1-dichloroethane	595.03
2-methyl-1-pentanol	188.15
methyl formate	122.06
2-methyl-1-butanol	217.27
n-decane	8.58
butyronitrile	253.87
3,7-dimethyl-1-octanol	98.77
1-chlorooctane	57.32
1-chlorotetradecane	22.09
n-nonane	7.94
undecane	6.23
tert-butylcyclohexane	26.61
cyclooctane	11.93
cyclopentanol	204.95
tetrahydropyran	550.94
tert-amyl methyl ether	219.72
2,5,8-trioxanonane	357.64
1-hexene	136.2
2-isopropoxyethanol	205.93
2,2,2-trifluoroethanol	63.81
methyl butyrate	209.61

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