Molecular formula
C15H26O2

SMILES
C[C@H]1CC(=O)[C@]([C@]12C[C@@H](CC(C2)(C)C)C)(C)O

Fragrance
Woody	80.07%
Camphoreous	45.41%
Amber	42.36%
Dry	40.82%
Cedar	40.36%
Earthy	40.11%
Tobacco	38.1%
Spicy	37.53%
Herbal	36.37%
Mint	30.87%

 

Flavor
Woody	57.07%
Sweet	49.78%
Herbal	48.84%
Camphor	44.43%
Minty	41.56%
Spicy	34.36%
Tobacco	33.48%
Pine	32.2%
Earthy	31.24%
Musty	30.11%

 

Odor impact est.
Low

XLogP3-AA
3.2

pKa est.
8.36 (weak base)

Molecular weight
238.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
334°C

Flash point

• 126.96 ˚C est.

• SCHEMBL4399071

(1S,4R,5S,7R)-4-hydroxy-1,4,7,9,9-pentamethylspiro[4.5]decan-3-one is a spiro-terpenoid compound that is primarily used as an odorant and as a synthetic intermediate in fragrance chemistry. In the fragrance and perfumery sector it may serve as an aroma ingredient and a building block for more complex aroma molecules; in cosmetics and personal care it is used as a fragrance component; in household products such as cleaners and air fresheners it functions as a scent additive; in industrial manufacturing it is commonly evaluated and employed as an intermediate for synthesizing more complex aroma compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	467.34
methanol	567.27
isopropanol	629.21
water	3.63
ethyl acetate	735.53
n-propanol	508.43
acetone	1124.52
n-butanol	463.13
acetonitrile	616.9
DMF	1466.12
toluene	585.77
isobutanol	431.41
1,4-dioxane	1258.76
methyl acetate	685.3
THF	2791.1
2-butanone	821.48
n-pentanol	242.23
sec-butanol	408.57
n-hexane	30.49
ethylene glycol	171.0
NMP	834.4
cyclohexane	72.9
DMSO	863.58
n-butyl acetate	437.21
n-octanol	225.05
chloroform	1469.72
n-propyl acetate	354.64
acetic acid	379.24
dichloromethane	968.24
cyclohexanone	1125.71
propylene glycol	255.66
isopropyl acetate	634.01
DMAc	775.25
2-ethoxyethanol	408.33
isopentanol	398.0
n-heptane	29.83
ethyl formate	442.5
1,2-dichloroethane	714.44
n-hexanol	393.17
2-methoxyethanol	818.5
isobutyl acetate	292.02
tetrachloromethane	278.65
n-pentyl acetate	350.31
transcutol	608.51
n-heptanol	239.49
ethylbenzene	264.77
MIBK	532.85
2-propoxyethanol	691.56
tert-butanol	649.11
MTBE	600.33
2-butoxyethanol	421.08
propionic acid	362.17
o-xylene	326.58
formic acid	167.18
diethyl ether	559.95
m-xylene	454.46
p-xylene	330.54
chlorobenzene	585.64
dimethyl carbonate	403.73
n-octane	20.33
formamide	265.67
cyclopentanone	1692.88
2-pentanone	742.47
anisole	478.49
cyclopentyl methyl ether	847.28
gamma-butyrolactone	1616.63
1-methoxy-2-propanol	839.59
pyridine	839.29
3-pentanone	519.26
furfural	1058.09
n-dodecane	17.91
diethylene glycol	495.68
diisopropyl ether	226.21
tert-amyl alcohol	398.99
acetylacetone	980.44
n-hexadecane	21.42
acetophenone	435.93
methyl propionate	603.26
isopentyl acetate	447.14
trichloroethylene	1384.38
n-nonanol	200.04
cyclohexanol	490.68
benzyl alcohol	351.83
2-ethylhexanol	202.3
isooctanol	191.09
dipropyl ether	240.27
1,2-dichlorobenzene	504.68
ethyl lactate	218.47
propylene carbonate	851.12
n-methylformamide	648.76
2-pentanol	346.04
n-pentane	45.73
1-propoxy-2-propanol	474.08
1-methoxy-2-propyl acetate	573.17
2-(2-methoxypropoxy) propanol	291.0
mesitylene	274.9
ε-caprolactone	851.17
p-cymene	166.34
epichlorohydrin	1500.45
1,1,1-trichloroethane	911.9
2-aminoethanol	287.22
morpholine-4-carbaldehyde	992.76
sulfolane	1352.01
2,2,4-trimethylpentane	33.49
2-methyltetrahydrofuran	1156.21
n-hexyl acetate	473.97
isooctane	35.6
2-(2-butoxyethoxy)ethanol	371.02
sec-butyl acetate	298.93
tert-butyl acetate	635.41
decalin	48.06
glycerin	342.79
diglyme	751.85
acrylic acid	331.57
isopropyl myristate	188.14
n-butyric acid	562.47
acetyl acetate	539.37
di(2-ethylhexyl) phthalate	171.13
ethyl propionate	368.08
nitromethane	974.53
1,2-diethoxyethane	319.24
benzonitrile	514.54
trioctyl phosphate	140.02
1-bromopropane	425.76
gamma-valerolactone	1657.4
n-decanol	145.24
triethyl phosphate	152.18
4-methyl-2-pentanol	242.59
propionitrile	574.32
vinylene carbonate	737.4
1,1,2-trichlorotrifluoroethane	772.98
DMS	452.51
cumene	183.57
2-octanol	190.58
2-hexanone	346.76
octyl acetate	235.28
limonene	195.82
1,2-dimethoxyethane	735.23
ethyl orthosilicate	142.19
tributyl phosphate	150.37
diacetone alcohol	581.31
N,N-dimethylaniline	306.58
acrylonitrile	673.71
aniline	520.55
1,3-propanediol	453.42
bromobenzene	622.22
dibromomethane	635.2
1,1,2,2-tetrachloroethane	1085.0
2-methyl-cyclohexyl acetate	261.59
tetrabutyl urea	188.48
diisobutyl methanol	147.11
2-phenylethanol	419.38
styrene	287.23
dioctyl adipate	222.17
dimethyl sulfate	597.15
ethyl butyrate	307.06
methyl lactate	365.21
butyl lactate	271.07
diethyl carbonate	205.17
propanediol butyl ether	354.47
triethyl orthoformate	205.74
p-tert-butyltoluene	179.81
methyl 4-tert-butylbenzoate	415.24
morpholine	1191.77
tert-butylamine	358.39
n-dodecanol	107.83
dimethoxymethane	1032.84
ethylene carbonate	641.28
cyrene	346.26
2-ethoxyethyl acetate	428.96
2-ethylhexyl acetate	320.05
1,2,4-trichlorobenzene	539.63
4-methylpyridine	888.69
dibutyl ether	197.51
2,6-dimethyl-4-heptanol	147.11
DEF	556.79
dimethyl isosorbide	587.5
tetrachloroethylene	699.0
eugenol	362.43
triacetin	380.53
span 80	273.89
1,4-butanediol	168.25
1,1-dichloroethane	873.48
2-methyl-1-pentanol	206.33
methyl formate	611.9
2-methyl-1-butanol	346.57
n-decane	33.49
butyronitrile	561.56
3,7-dimethyl-1-octanol	204.15
1-chlorooctane	156.1
1-chlorotetradecane	58.43
n-nonane	29.79
undecane	23.79
tert-butylcyclohexane	46.58
cyclooctane	32.18
cyclopentanol	632.58
tetrahydropyran	1099.21
tert-amyl methyl ether	371.57
2,5,8-trioxanonane	457.13
1-hexene	126.79
2-isopropoxyethanol	315.66
2,2,2-trifluoroethanol	253.33
methyl butyrate	434.2

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