Molecular formula
C12H22O

SMILES
CC1CC2(CCC1C(O2)C(C)C)C

Fragrance
Herbal	76.68%
Green	73.85%
Mint	63.98%
Spicy	56.85%
Fresh	53.19%
Cooling	50.8%
Woody	45.27%
Earthy	42.72%
Camphoreous	41.52%
Citrus	38.08%

 

Flavor
Green	60.55%
Minty	50.34%
Herbal	48.9%
Herb	37.3%
Sweet	35.22%
Earthy	34.13%
Tropical	33.27%
Spice	30.5%
Mint	29.52%
Pine	28.23%

 

Odor impact est.
High

XLogP3-AA
3.4

pKa est.
9.84 (weak base)

Molecular weight
182.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
218°C

Flash point

• 70.83 ˚C est.

• SCHEMBL11303738
• NEQQGVKFHDPGBE-UHFFFAOYSA-N
• 1,5-dimethyl 3-isopropyl-2-oxabicyclo[2.2.2]octane
• 1,5-dimethyl-3-isopropyl-2-oxabicyclo[2.2.2]octane

1,5-Dimethyl 3-isopropyl-2-oxabicyclo[2.2.2]octane can serve as an intermediate in organic synthesis for specialty chemicals, including pharmaceuticals and agrochemicals. It may also be used as a solvent or co-solvent in certain processing steps. Owing to its rigid bicyclic architecture and ether functionality, it can provide a scaffold for developing polymers and plastic additives. In coatings and inks, it could be used as a component to adjust rheology and compatibility. In perfumery, it may be evaluated as a fragrance ingredient or fixative in select formulations; however, its use is governed by applicable regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	505.28
methanol	483.1
isopropanol	540.53
water	2.01
ethyl acetate	904.09
n-propanol	599.6
acetone	818.44
n-butanol	655.26
acetonitrile	669.35
DMF	695.2
toluene	882.96
isobutanol	581.72
1,4-dioxane	1503.49
methyl acetate	829.63
THF	2110.7
2-butanone	878.69
n-pentanol	425.58
sec-butanol	533.55
n-hexane	328.7
ethylene glycol	131.76
NMP	801.94
cyclohexane	503.49
DMSO	525.95
n-butyl acetate	1071.18
n-octanol	638.25
chloroform	2750.95
n-propyl acetate	557.0
acetic acid	375.1
dichloromethane	2049.23
cyclohexanone	1524.2
propylene glycol	201.92
isopropyl acetate	746.68
DMAc	665.78
2-ethoxyethanol	474.14
isopentanol	649.92
n-heptane	311.33
ethyl formate	554.97
1,2-dichloroethane	1146.92
n-hexanol	957.76
2-methoxyethanol	668.49
isobutyl acetate	491.92
tetrachloromethane	626.5
n-pentyl acetate	712.31
transcutol	1575.1
n-heptanol	524.62
ethylbenzene	472.15
MIBK	644.82
2-propoxyethanol	1024.11
tert-butanol	658.42
MTBE	956.53
2-butoxyethanol	619.21
propionic acid	485.86
o-xylene	590.56
formic acid	106.35
diethyl ether	977.49
m-xylene	682.48
p-xylene	600.14
chlorobenzene	1046.74
dimethyl carbonate	313.76
n-octane	161.23
formamide	121.85
cyclopentanone	1420.95
2-pentanone	804.79
anisole	652.23
cyclopentyl methyl ether	1232.61
gamma-butyrolactone	1374.13
1-methoxy-2-propanol	653.81
pyridine	1063.22
3-pentanone	706.5
furfural	1130.17
n-dodecane	132.22
diethylene glycol	537.13
diisopropyl ether	510.71
tert-amyl alcohol	561.37
acetylacetone	796.66
n-hexadecane	154.03
acetophenone	558.87
methyl propionate	667.04
isopentyl acetate	1024.99
trichloroethylene	2000.24
n-nonanol	525.95
cyclohexanol	838.39
benzyl alcohol	443.04
2-ethylhexanol	690.28
isooctanol	439.29
dipropyl ether	758.91
1,2-dichlorobenzene	889.39
ethyl lactate	298.11
propylene carbonate	938.29
n-methylformamide	378.6
2-pentanol	548.84
n-pentane	308.41
1-propoxy-2-propanol	801.16
1-methoxy-2-propyl acetate	897.3
2-(2-methoxypropoxy) propanol	561.07
mesitylene	497.27
ε-caprolactone	1296.28
p-cymene	430.22
epichlorohydrin	1479.92
1,1,1-trichloroethane	1478.2
2-aminoethanol	246.65
morpholine-4-carbaldehyde	965.84
sulfolane	1294.36
2,2,4-trimethylpentane	178.22
2-methyltetrahydrofuran	1640.09
n-hexyl acetate	1077.73
isooctane	167.88
2-(2-butoxyethoxy)ethanol	698.45
sec-butyl acetate	485.07
tert-butyl acetate	784.77
decalin	246.59
glycerin	262.17
diglyme	1240.12
acrylic acid	373.91
isopropyl myristate	465.04
n-butyric acid	749.83
acetyl acetate	626.85
di(2-ethylhexyl) phthalate	336.33
ethyl propionate	538.8
nitromethane	639.31
1,2-diethoxyethane	870.22
benzonitrile	779.71
trioctyl phosphate	310.37
1-bromopropane	1029.89
gamma-valerolactone	1550.28
n-decanol	383.66
triethyl phosphate	310.17
4-methyl-2-pentanol	428.42
propionitrile	723.44
vinylene carbonate	827.83
1,1,2-trichlorotrifluoroethane	785.16
DMS	675.2
cumene	380.84
2-octanol	450.54
2-hexanone	590.95
octyl acetate	537.68
limonene	598.93
1,2-dimethoxyethane	895.22
ethyl orthosilicate	310.66
tributyl phosphate	359.42
diacetone alcohol	626.17
N,N-dimethylaniline	438.21
acrylonitrile	683.65
aniline	666.84
1,3-propanediol	353.19
bromobenzene	1224.19
dibromomethane	1521.02
1,1,2,2-tetrachloroethane	1703.18
2-methyl-cyclohexyl acetate	576.73
tetrabutyl urea	407.63
diisobutyl methanol	395.9
2-phenylethanol	647.45
styrene	508.87
dioctyl adipate	471.23
dimethyl sulfate	407.43
ethyl butyrate	647.25
methyl lactate	325.64
butyl lactate	472.1
diethyl carbonate	402.09
propanediol butyl ether	553.89
triethyl orthoformate	481.14
p-tert-butyltoluene	413.81
methyl 4-tert-butylbenzoate	599.47
morpholine	1312.35
tert-butylamine	555.41
n-dodecanol	303.0
dimethoxymethane	709.26
ethylene carbonate	807.94
cyrene	385.86
2-ethoxyethyl acetate	742.88
2-ethylhexyl acetate	876.25
1,2,4-trichlorobenzene	962.27
4-methylpyridine	1201.76
dibutyl ether	809.17
2,6-dimethyl-4-heptanol	395.9
DEF	726.27
dimethyl isosorbide	878.6
tetrachloroethylene	1131.71
eugenol	483.23
triacetin	700.13
span 80	530.8
1,4-butanediol	181.43
1,1-dichloroethane	1390.89
2-methyl-1-pentanol	440.7
methyl formate	388.54
2-methyl-1-butanol	619.65
n-decane	227.42
butyronitrile	825.11
3,7-dimethyl-1-octanol	586.84
1-chlorooctane	628.32
1-chlorotetradecane	258.31
n-nonane	244.3
undecane	165.89
tert-butylcyclohexane	249.34
cyclooctane	269.59
cyclopentanol	767.75
tetrahydropyran	1664.18
tert-amyl methyl ether	721.07
2,5,8-trioxanonane	742.08
1-hexene	603.64
2-isopropoxyethanol	424.93
2,2,2-trifluoroethanol	196.82
methyl butyrate	640.37

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