Molecular formula
C14H22O

SMILES
CC1CCCC(C=C1C=CC(=O)C)(C)C

Fragrance
Floral	87.43%
Woody	81.98%
Sweet	70.58%
Fruity	69.26%
Violet	64.03%
Berry	58.84%
Orris	57.37%
Powdery	55.93%
Raspberry	43.67%
Tobacco	42.75%

 

Flavor
Woody	68.82%
Floral	67.76%
Sweet	59.92%
Violet	47.37%
Orris	44.84%
Fruity	43.42%
Powdery	40.9%
Spicy	36.92%
Raspberry	36.21%
Tropical	35.85%

 

Odor impact est.
High

XLogP3-AA
3.9

pKa est.
9.29 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
257°C

Flash point

• 111.12 ˚C est.

Chemical name: 4-(3,3,7-Trimethylcyclohepten-1-yl)but-3-en-2-one; CAS number: In perfumery and fragrance, it is considered as a fragrance ingredient contributing green, woody notes and may act as a mild fixative. In cosmetics and personal care, it can be used as a fragrance additive in creams, lotions, and hair care formulations. In household products, it is used in air fresheners, detergents, and cleaning products to impart a lasting scent. In coatings and inks, it may serve as an odorant or scent additive to enhance consumer perception of the product. In polymers and plastics, it may be evaluated for scented release or compatibility as a fragrance additive, subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1389.91
methanol	1164.88
isopropanol	1189.8
water	0.45
ethyl acetate	2187.37
n-propanol	1617.99
acetone	2552.56
n-butanol	1569.03
acetonitrile	1481.18
DMF	3165.59
toluene	2113.1
isobutanol	1387.82
1,4-dioxane	2571.42
methyl acetate	1824.02
THF	3901.44
2-butanone	2800.21
n-pentanol	926.37
sec-butanol	1444.59
n-hexane	603.7
ethylene glycol	211.22
NMP	2605.14
cyclohexane	728.49
DMSO	1758.1
n-butyl acetate	1297.24
n-octanol	495.84
chloroform	4491.73
n-propyl acetate	1007.86
acetic acid	712.71
dichloromethane	3356.78
cyclohexanone	3045.7
propylene glycol	432.48
isopropyl acetate	1599.14
DMAc	2416.36
2-ethoxyethanol	973.74
isopentanol	1449.98
n-heptane	142.34
ethyl formate	853.13
1,2-dichloroethane	2887.44
n-hexanol	1336.64
2-methoxyethanol	1598.86
isobutyl acetate	739.55
tetrachloromethane	864.8
n-pentyl acetate	789.95
transcutol	4506.75
n-heptanol	484.39
ethylbenzene	856.18
MIBK	1411.41
2-propoxyethanol	1724.25
tert-butanol	1589.42
MTBE	2881.93
2-butoxyethanol	813.25
propionic acid	1007.03
o-xylene	1009.55
formic acid	234.43
diethyl ether	3042.28
m-xylene	1244.4
p-xylene	924.9
chlorobenzene	1836.92
dimethyl carbonate	813.74
n-octane	53.43
formamide	402.27
cyclopentanone	3061.49
2-pentanone	2500.77
anisole	1354.17
cyclopentyl methyl ether	2705.75
gamma-butyrolactone	2568.14
1-methoxy-2-propanol	1549.88
pyridine	2310.09
3-pentanone	2114.58
furfural	1851.2
n-dodecane	30.0
diethylene glycol	845.19
diisopropyl ether	889.07
tert-amyl alcohol	1602.23
acetylacetone	1870.69
n-hexadecane	37.46
acetophenone	977.55
methyl propionate	1921.64
isopentyl acetate	1263.57
trichloroethylene	4498.52
n-nonanol	416.16
cyclohexanol	1648.86
benzyl alcohol	833.25
2-ethylhexanol	702.79
isooctanol	396.41
dipropyl ether	936.07
1,2-dichlorobenzene	1462.9
ethyl lactate	417.51
propylene carbonate	1379.04
n-methylformamide	1230.15
2-pentanol	1226.74
n-pentane	419.95
1-propoxy-2-propanol	1152.84
1-methoxy-2-propyl acetate	1398.22
2-(2-methoxypropoxy) propanol	751.29
mesitylene	710.9
ε-caprolactone	2252.08
p-cymene	332.33
epichlorohydrin	3384.34
1,1,1-trichloroethane	2907.88
2-aminoethanol	566.21
morpholine-4-carbaldehyde	2253.68
sulfolane	2520.4
2,2,4-trimethylpentane	191.44
2-methyltetrahydrofuran	3620.31
n-hexyl acetate	1267.93
isooctane	149.0
2-(2-butoxyethoxy)ethanol	1173.83
sec-butyl acetate	899.23
tert-butyl acetate	1648.54
decalin	273.47
glycerin	471.89
diglyme	2064.1
acrylic acid	760.21
isopropyl myristate	373.03
n-butyric acid	1459.12
acetyl acetate	1008.68
di(2-ethylhexyl) phthalate	330.58
ethyl propionate	1048.34
nitromethane	1424.09
1,2-diethoxyethane	1557.38
benzonitrile	1177.15
trioctyl phosphate	243.83
1-bromopropane	2410.87
gamma-valerolactone	3055.12
n-decanol	280.19
triethyl phosphate	327.06
4-methyl-2-pentanol	699.43
propionitrile	1647.48
vinylene carbonate	1162.6
1,1,2-trichlorotrifluoroethane	1755.97
DMS	1071.16
cumene	484.71
2-octanol	345.81
2-hexanone	1302.96
octyl acetate	488.13
limonene	564.28
1,2-dimethoxyethane	1793.67
ethyl orthosilicate	355.06
tributyl phosphate	338.1
diacetone alcohol	1334.87
N,N-dimethylaniline	843.45
acrylonitrile	1547.74
aniline	1705.71
1,3-propanediol	727.12
bromobenzene	2003.52
dibromomethane	2599.04
1,1,2,2-tetrachloroethane	3812.76
2-methyl-cyclohexyl acetate	642.52
tetrabutyl urea	413.62
diisobutyl methanol	360.05
2-phenylethanol	916.08
styrene	1071.83
dioctyl adipate	471.71
dimethyl sulfate	1064.38
ethyl butyrate	743.08
methyl lactate	655.85
butyl lactate	627.4
diethyl carbonate	468.19
propanediol butyl ether	846.21
triethyl orthoformate	540.42
p-tert-butyltoluene	348.59
methyl 4-tert-butylbenzoate	717.05
morpholine	3313.2
tert-butylamine	1256.93
n-dodecanol	191.69
dimethoxymethane	2045.77
ethylene carbonate	1086.56
cyrene	613.9
2-ethoxyethyl acetate	1159.71
2-ethylhexyl acetate	1063.67
1,2,4-trichlorobenzene	1688.73
4-methylpyridine	2920.83
dibutyl ether	817.82
2,6-dimethyl-4-heptanol	360.05
DEF	2370.34
dimethyl isosorbide	1145.74
tetrachloroethylene	2254.23
eugenol	631.51
triacetin	916.55
span 80	663.57
1,4-butanediol	292.08
1,1-dichloroethane	3118.66
2-methyl-1-pentanol	934.36
methyl formate	832.33
2-methyl-1-butanol	1572.05
n-decane	65.44
butyronitrile	1657.73
3,7-dimethyl-1-octanol	554.2
1-chlorooctane	406.61
1-chlorotetradecane	121.21
n-nonane	70.44
undecane	42.1
tert-butylcyclohexane	249.35
cyclooctane	235.27
cyclopentanol	1329.18
tetrahydropyran	3861.12
tert-amyl methyl ether	1999.25
2,5,8-trioxanonane	1076.29
1-hexene	1518.48
2-isopropoxyethanol	800.23
2,2,2-trifluoroethanol	310.88
methyl butyrate	1246.21

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