Molecular formula
C13H20O

SMILES
CC12CCC(C1)C(C(=O)C2)(C)CC=C

Fragrance
Fruity	80.85%
Woody	47.75%
Herbal	43.1%
Green	39.79%
Fresh	38.33%
Citrus	31.54%
Spicy	31.21%
Mint	30.7%
Tropical	30.35%
Floral	26.77%

 

Flavor
Woody	47.02%
Herbal	45.61%
Minty	43.13%
Fresh	34.75%
Spice	31.0%
Spicy	29.66%
Mint	27.81%
Herb	27.79%
Camphor	25.75%
Floral	23.22%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
7.77 (neutral)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
272°C

Flash point

• 99.84 ˚C est.

• SCHEMBL1276984
• SXMGGAFNVMWNNP-UHFFFAOYSA-N
• 4-allyl-1,4-dimethyl-bicyclo[3.2.1]octan-3-one

4-Allyl-1,4-dimethyl-bicyclo[3.2.1]octan-3-one is primarily used as an intermediate in organic synthesis, with applications in fragrance and flavor chemistry where it serves as a chiral bicyclic building block and as a precursor to odorants or fragrance notes. In cosmetics and personal care, it may be employed as a fragrance ingredient or intermediate. In pharmaceutical and agrochemical research, it is commonly evaluated as a chiral scaffold for constructing more complex molecules. The allyl group provides a handle for polymer and coatings chemistries, enabling potential use as a reactive building block in specialty polymers or crosslinking chemistries. In industrial manufacturing, it may be encountered as a starting material or intermediate in broader syntheses, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	742.96
methanol	842.71
isopropanol	1029.69
water	7.16
ethyl acetate	865.79
n-propanol	789.44
acetone	1056.57
n-butanol	783.81
acetonitrile	978.0
DMF	1321.71
toluene	834.68
isobutanol	681.95
1,4-dioxane	1595.94
methyl acetate	823.07
THF	1981.74
2-butanone	933.15
n-pentanol	388.74
sec-butanol	608.99
n-hexane	69.17
ethylene glycol	160.19
NMP	618.12
cyclohexane	183.12
DMSO	494.45
n-butyl acetate	627.54
n-octanol	310.76
chloroform	2710.78
n-propyl acetate	448.42
acetic acid	511.2
dichloromethane	1657.81
cyclohexanone	1170.63
propylene glycol	249.73
isopropyl acetate	702.35
DMAc	749.05
2-ethoxyethanol	511.96
isopentanol	721.16
n-heptane	55.94
ethyl formate	603.97
1,2-dichloroethane	933.09
n-hexanol	663.47
2-methoxyethanol	961.36
isobutyl acetate	368.85
tetrachloromethane	452.98
n-pentyl acetate	379.18
transcutol	1581.29
n-heptanol	321.02
ethylbenzene	401.57
MIBK	584.88
2-propoxyethanol	918.55
tert-butanol	927.21
MTBE	827.28
2-butoxyethanol	507.35
propionic acid	481.38
o-xylene	487.36
formic acid	207.53
diethyl ether	764.89
m-xylene	596.15
p-xylene	560.69
chlorobenzene	849.19
dimethyl carbonate	380.41
n-octane	30.93
formamide	329.28
cyclopentanone	1176.07
2-pentanone	772.29
anisole	651.2
cyclopentyl methyl ether	795.5
gamma-butyrolactone	1194.44
1-methoxy-2-propanol	918.54
pyridine	1255.91
3-pentanone	536.61
furfural	1039.85
n-dodecane	27.07
diethylene glycol	582.58
diisopropyl ether	299.49
tert-amyl alcohol	581.88
acetylacetone	795.95
n-hexadecane	32.14
acetophenone	506.81
methyl propionate	626.61
isopentyl acetate	627.17
trichloroethylene	1852.06
n-nonanol	262.3
cyclohexanol	694.98
benzyl alcohol	480.4
2-ethylhexanol	335.54
isooctanol	258.4
dipropyl ether	332.29
1,2-dichlorobenzene	696.01
ethyl lactate	240.46
propylene carbonate	764.14
n-methylformamide	637.09
2-pentanol	543.91
n-pentane	99.77
1-propoxy-2-propanol	662.73
1-methoxy-2-propyl acetate	658.2
2-(2-methoxypropoxy) propanol	406.83
mesitylene	394.93
ε-caprolactone	925.99
p-cymene	221.49
epichlorohydrin	1350.22
1,1,1-trichloroethane	1274.14
2-aminoethanol	351.06
morpholine-4-carbaldehyde	959.68
sulfolane	770.13
2,2,4-trimethylpentane	58.52
2-methyltetrahydrofuran	1129.7
n-hexyl acetate	557.01
isooctane	64.34
2-(2-butoxyethoxy)ethanol	572.6
sec-butyl acetate	379.46
tert-butyl acetate	655.71
decalin	94.39
glycerin	315.12
diglyme	1029.14
acrylic acid	407.69
isopropyl myristate	220.05
n-butyric acid	783.17
acetyl acetate	571.53
di(2-ethylhexyl) phthalate	196.02
ethyl propionate	436.31
nitromethane	915.28
1,2-diethoxyethane	572.08
benzonitrile	748.29
trioctyl phosphate	142.7
1-bromopropane	676.98
gamma-valerolactone	1413.7
n-decanol	191.32
triethyl phosphate	168.99
4-methyl-2-pentanol	394.63
propionitrile	912.4
vinylene carbonate	778.93
1,1,2-trichlorotrifluoroethane	766.72
DMS	472.12
cumene	284.69
2-octanol	239.31
2-hexanone	460.35
octyl acetate	255.98
limonene	266.66
1,2-dimethoxyethane	960.63
ethyl orthosilicate	175.02
tributyl phosphate	172.96
diacetone alcohol	586.26
N,N-dimethylaniline	381.86
acrylonitrile	943.96
aniline	762.66
1,3-propanediol	576.32
bromobenzene	880.45
dibromomethane	1076.11
1,1,2,2-tetrachloroethane	1489.48
2-methyl-cyclohexyl acetate	312.05
tetrabutyl urea	200.21
diisobutyl methanol	221.14
2-phenylethanol	552.47
styrene	457.01
dioctyl adipate	241.39
dimethyl sulfate	409.46
ethyl butyrate	389.23
methyl lactate	348.87
butyl lactate	307.2
diethyl carbonate	278.16
propanediol butyl ether	456.65
triethyl orthoformate	278.68
p-tert-butyltoluene	226.43
methyl 4-tert-butylbenzoate	413.43
morpholine	1508.7
tert-butylamine	650.69
n-dodecanol	141.02
dimethoxymethane	896.75
ethylene carbonate	697.39
cyrene	329.6
2-ethoxyethyl acetate	479.78
2-ethylhexyl acetate	429.33
1,2,4-trichlorobenzene	736.55
4-methylpyridine	1287.97
dibutyl ether	300.55
2,6-dimethyl-4-heptanol	221.14
DEF	635.85
dimethyl isosorbide	668.25
tetrachloroethylene	950.25
eugenol	406.1
triacetin	433.36
span 80	357.57
1,4-butanediol	205.4
1,1-dichloroethane	1361.94
2-methyl-1-pentanol	375.16
methyl formate	556.57
2-methyl-1-butanol	583.93
n-decane	47.51
butyronitrile	939.11
3,7-dimethyl-1-octanol	313.62
1-chlorooctane	205.15
1-chlorotetradecane	78.9
n-nonane	44.75
undecane	34.98
tert-butylcyclohexane	85.06
cyclooctane	68.45
cyclopentanol	675.59
tetrahydropyran	1410.34
tert-amyl methyl ether	447.35
2,5,8-trioxanonane	582.95
1-hexene	255.16
2-isopropoxyethanol	399.43
2,2,2-trifluoroethanol	287.8
methyl butyrate	530.14

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