Molecular formula
C13H20O2

SMILES
CC1CCC2(O1)C(=CC(=O)CC2(C)C)C

Fragrance
Woody	70.7%
Floral	59.98%
Mint	53.74%
Tobacco	48.86%
Camphoreous	47.3%
Sweet	45.83%
Herbal	45.57%
Green	43.76%
Tea	39.01%
Fruity	38.18%

 

Flavor
Fruity	72.7%
Woody	68.59%
Tobacco	56.02%
Green	47.99%
Sweet	47.35%
Spicy	41.13%
Musty	41.11%
Minty	40.76%
Herbal	40.54%
Earthy	39.13%

 

Odor impact est.
Medium

XLogP3-AA
1.8

pKa est.
8.27 (weak base)

Molecular weight
208.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
290°C

Flash point

• 105.06 ˚C est.

• Theaspirone A
• Theaspirone
• SCHEMBL11717026
• AXQMCYYCOKLZPP-UHFFFAOYSA-N
• CHEBI:182980
• 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one

Theaspirone A is typically encountered as an aroma compound and odorant, with potential roles as a scent modifier and, in some formulations, a minor fixative in perfumery. In cosmetics and personal care, it may be used as a fragrance ingredient to impart or stabilize aroma profiles. In household products, cleaners and air fresheners, it can serve as a fragrance additive to enhance perceived freshness. In coatings and inks, Theaspirone A may be incorporated as a fragrance component or odor-masking agent to improve product sensorial characteristics. In polymers and plastics, it can act as an odor modifier affecting scent release during processing or in end products. It is commonly evaluated for use as an intermediate in aroma-chemical synthesis and formulation development, with final applications subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	417.36
methanol	630.73
isopropanol	310.12
water	16.04
ethyl acetate	985.1
n-propanol	427.94
acetone	1302.24
n-butanol	372.69
acetonitrile	1204.34
DMF	1997.33
toluene	1159.56
isobutanol	330.27
1,4-dioxane	1118.69
methyl acetate	1017.81
THF	1927.93
2-butanone	1086.52
n-pentanol	243.35
sec-butanol	332.77
n-hexane	95.95
ethylene glycol	200.45
NMP	1969.14
cyclohexane	158.21
DMSO	1522.79
n-butyl acetate	501.9
n-octanol	167.18
chloroform	3029.24
n-propyl acetate	477.24
acetic acid	780.48
dichloromethane	2912.64
cyclohexanone	1582.73
propylene glycol	195.02
isopropyl acetate	627.66
DMAc	1421.0
2-ethoxyethanol	452.69
isopentanol	334.73
n-heptane	42.93
ethyl formate	654.3
1,2-dichloroethane	1694.73
n-hexanol	308.75
2-methoxyethanol	883.19
isobutyl acetate	303.4
tetrachloromethane	620.67
n-pentyl acetate	383.67
transcutol	1209.55
n-heptanol	154.05
ethylbenzene	470.12
MIBK	565.48
2-propoxyethanol	615.72
tert-butanol	334.84
MTBE	524.29
2-butoxyethanol	330.11
propionic acid	612.03
o-xylene	582.32
formic acid	569.74
diethyl ether	716.42
m-xylene	745.5
p-xylene	496.6
chlorobenzene	1310.24
dimethyl carbonate	681.67
n-octane	17.48
formamide	832.73
cyclopentanone	1946.4
2-pentanone	940.3
anisole	824.7
cyclopentyl methyl ether	1165.19
gamma-butyrolactone	2037.67
1-methoxy-2-propanol	711.38
pyridine	1559.28
3-pentanone	867.74
furfural	1908.63
n-dodecane	12.95
diethylene glycol	494.59
diisopropyl ether	257.29
tert-amyl alcohol	347.66
acetylacetone	1162.82
n-hexadecane	15.57
acetophenone	758.99
methyl propionate	956.23
isopentyl acetate	437.85
trichloroethylene	3442.35
n-nonanol	140.66
cyclohexanol	511.86
benzyl alcohol	503.94
2-ethylhexanol	187.38
isooctanol	127.71
dipropyl ether	261.83
1,2-dichlorobenzene	1093.39
ethyl lactate	265.16
propylene carbonate	1086.68
n-methylformamide	1210.85
2-pentanol	278.31
n-pentane	90.29
1-propoxy-2-propanol	364.72
1-methoxy-2-propyl acetate	657.75
2-(2-methoxypropoxy) propanol	331.92
mesitylene	399.42
ε-caprolactone	1222.78
p-cymene	191.04
epichlorohydrin	2243.89
1,1,1-trichloroethane	1637.75
2-aminoethanol	289.93
morpholine-4-carbaldehyde	1521.17
sulfolane	2109.34
2,2,4-trimethylpentane	55.95
2-methyltetrahydrofuran	1365.19
n-hexyl acetate	585.23
isooctane	40.91
2-(2-butoxyethoxy)ethanol	410.1
sec-butyl acetate	364.34
tert-butyl acetate	625.04
decalin	99.61
glycerin	322.73
diglyme	889.57
acrylic acid	660.45
isopropyl myristate	164.3
n-butyric acid	679.09
acetyl acetate	747.09
di(2-ethylhexyl) phthalate	188.25
ethyl propionate	525.97
nitromethane	2058.96
1,2-diethoxyethane	375.83
benzonitrile	835.84
trioctyl phosphate	132.19
1-bromopropane	918.9
gamma-valerolactone	2015.91
n-decanol	93.49
triethyl phosphate	216.1
4-methyl-2-pentanol	184.49
propionitrile	794.7
vinylene carbonate	1072.66
1,1,2-trichlorotrifluoroethane	1235.28
DMS	700.9
cumene	264.88
2-octanol	116.41
2-hexanone	494.74
octyl acetate	225.05
limonene	251.74
1,2-dimethoxyethane	807.28
ethyl orthosilicate	192.01
tributyl phosphate	181.06
diacetone alcohol	545.49
N,N-dimethylaniline	513.53
acrylonitrile	1181.82
aniline	867.84
1,3-propanediol	371.56
bromobenzene	1492.23
dibromomethane	1863.88
1,1,2,2-tetrachloroethane	2187.61
2-methyl-cyclohexyl acetate	325.37
tetrabutyl urea	215.32
diisobutyl methanol	113.5
2-phenylethanol	459.24
styrene	625.34
dioctyl adipate	233.66
dimethyl sulfate	1173.16
ethyl butyrate	346.3
methyl lactate	458.98
butyl lactate	288.51
diethyl carbonate	262.15
propanediol butyl ether	308.52
triethyl orthoformate	245.06
p-tert-butyltoluene	187.33
methyl 4-tert-butylbenzoate	466.71
morpholine	1201.39
tert-butylamine	232.0
n-dodecanol	65.57
dimethoxymethane	1167.77
ethylene carbonate	863.89
cyrene	436.96
2-ethoxyethyl acetate	570.65
2-ethylhexyl acetate	371.83
1,2,4-trichlorobenzene	1258.57
4-methylpyridine	1715.88
dibutyl ether	196.51
2,6-dimethyl-4-heptanol	113.5
DEF	982.09
dimethyl isosorbide	635.0
tetrachloroethylene	1562.83
eugenol	400.73
triacetin	530.55
span 80	268.98
1,4-butanediol	158.45
1,1-dichloroethane	1520.39
2-methyl-1-pentanol	245.18
methyl formate	1103.72
2-methyl-1-butanol	357.05
n-decane	24.57
butyronitrile	637.69
3,7-dimethyl-1-octanol	164.31
1-chlorooctane	150.26
1-chlorotetradecane	47.73
n-nonane	24.81
undecane	17.1
tert-butylcyclohexane	78.42
cyclooctane	72.71
cyclopentanol	561.64
tetrahydropyran	1092.77
tert-amyl methyl ether	483.96
2,5,8-trioxanonane	500.53
1-hexene	265.73
2-isopropoxyethanol	305.67
2,2,2-trifluoroethanol	559.22
methyl butyrate	604.55

Scent© AI