Molecular formula
C13H20O

SMILES
C[C@@H]1CCC=C(C1(C)C)/C=C/C(=O)C

Fragrance
Woody	89.7%
Floral	87.24%
Sweet	75.9%
Fruity	73.76%
Violet	70.08%
Berry	67.63%
Orris	62.76%
Powdery	61.95%
Raspberry	48.62%
Tropical	42.8%

 

Flavor
Woody	73.23%
Floral	65.68%
Sweet	49.77%
Violet	47.1%
Orris	44.59%
Powdery	38.24%
Herbal	34.89%
Raspberry	32.86%
Tropical	32.57%
Dry	32.3%

 

Odor impact est.
High

XLogP3-AA
3.3

pKa est.
9.16 (weak base)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
262°C

Flash point

• 109.89 ˚C est.

(E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one is primarily encountered as a fragrance-related compound, used as an odorant and aroma intermediate in perfumery. In cosmetic and personal-care formulations, it may serve as a fragrance ingredient, contributing to scent profiles in creams, lotions, and toiletries. In household products such as cleaners and air fresheners, it can be added to impart a woody/green note and enhance consumer perception of cleanliness. In industrial manufacturing, it may be used as a chiral intermediate or building block in the synthesis of related fragrance chemicals. In coatings and inks, it can function as a fragrance additive to provide a lasting scent in scented coatings and packaging inks. All usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	546.93
methanol	424.72
isopropanol	402.88
water	0.53
ethyl acetate	969.62
n-propanol	486.09
acetone	832.26
n-butanol	426.1
acetonitrile	660.31
DMF	1018.62
toluene	812.56
isobutanol	302.65
1,4-dioxane	1690.46
methyl acetate	759.3
THF	1853.74
2-butanone	900.24
n-pentanol	201.17
sec-butanol	336.27
n-hexane	63.43
ethylene glycol	63.14
NMP	782.43
cyclohexane	163.34
DMSO	515.82
n-butyl acetate	529.98
n-octanol	117.52
chloroform	2140.7
n-propyl acetate	349.05
acetic acid	228.64
dichloromethane	1691.36
cyclohexanone	964.14
propylene glycol	122.22
isopropyl acetate	537.67
DMAc	816.69
2-ethoxyethanol	274.58
isopentanol	338.39
n-heptane	33.97
ethyl formate	347.39
1,2-dichloroethane	1118.89
n-hexanol	368.42
2-methoxyethanol	610.97
isobutyl acetate	223.36
tetrachloromethane	309.23
n-pentyl acetate	232.26
transcutol	2080.52
n-heptanol	127.88
ethylbenzene	287.43
MIBK	359.72
2-propoxyethanol	572.28
tert-butanol	487.86
MTBE	683.42
2-butoxyethanol	266.02
propionic acid	277.35
o-xylene	357.39
formic acid	87.16
diethyl ether	874.86
m-xylene	454.89
p-xylene	345.15
chlorobenzene	798.1
dimethyl carbonate	295.85
n-octane	11.43
formamide	219.54
cyclopentanone	1197.2
2-pentanone	700.61
anisole	598.75
cyclopentyl methyl ether	781.69
gamma-butyrolactone	1095.6
1-methoxy-2-propanol	510.41
pyridine	1127.1
3-pentanone	608.78
furfural	833.19
n-dodecane	8.4
diethylene glycol	313.6
diisopropyl ether	230.32
tert-amyl alcohol	354.3
acetylacetone	700.06
n-hexadecane	10.35
acetophenone	400.27
methyl propionate	677.65
isopentyl acetate	454.83
trichloroethylene	2028.02
n-nonanol	111.24
cyclohexanol	391.31
benzyl alcohol	318.19
2-ethylhexanol	191.69
isooctanol	104.99
dipropyl ether	302.08
1,2-dichlorobenzene	650.56
ethyl lactate	135.48
propylene carbonate	523.01
n-methylformamide	441.59
2-pentanol	269.15
n-pentane	67.42
1-propoxy-2-propanol	407.58
1-methoxy-2-propyl acetate	646.41
2-(2-methoxypropoxy) propanol	336.59
mesitylene	251.97
ε-caprolactone	794.07
p-cymene	140.63
epichlorohydrin	1458.2
1,1,1-trichloroethane	1105.36
2-aminoethanol	183.99
morpholine-4-carbaldehyde	970.07
sulfolane	843.65
2,2,4-trimethylpentane	35.05
2-methyltetrahydrofuran	1377.13
n-hexyl acetate	364.57
isooctane	29.51
2-(2-butoxyethoxy)ethanol	473.88
sec-butyl acetate	287.8
tert-butyl acetate	519.07
decalin	65.51
glycerin	146.54
diglyme	888.44
acrylic acid	214.79
isopropyl myristate	136.59
n-butyric acid	444.65
acetyl acetate	461.36
di(2-ethylhexyl) phthalate	137.83
ethyl propionate	367.93
nitromethane	593.1
1,2-diethoxyethane	664.86
benzonitrile	487.61
trioctyl phosphate	86.11
1-bromopropane	682.94
gamma-valerolactone	1294.64
n-decanol	77.01
triethyl phosphate	155.36
4-methyl-2-pentanol	161.69
propionitrile	622.8
vinylene carbonate	517.38
1,1,2-trichlorotrifluoroethane	560.87
DMS	414.08
cumene	161.47
2-octanol	79.39
2-hexanone	342.26
octyl acetate	167.7
limonene	194.58
1,2-dimethoxyethane	634.31
ethyl orthosilicate	155.94
tributyl phosphate	124.57
diacetone alcohol	424.76
N,N-dimethylaniline	328.26
acrylonitrile	629.95
aniline	678.63
1,3-propanediol	265.42
bromobenzene	928.5
dibromomethane	1114.33
1,1,2,2-tetrachloroethane	1535.81
2-methyl-cyclohexyl acetate	280.14
tetrabutyl urea	143.4
diisobutyl methanol	113.91
2-phenylethanol	392.4
styrene	374.18
dioctyl adipate	208.56
dimethyl sulfate	357.23
ethyl butyrate	340.59
methyl lactate	214.55
butyl lactate	183.48
diethyl carbonate	241.84
propanediol butyl ether	241.57
triethyl orthoformate	236.29
p-tert-butyltoluene	150.71
methyl 4-tert-butylbenzoate	309.68
morpholine	1811.12
tert-butylamine	360.74
n-dodecanol	55.05
dimethoxymethane	742.52
ethylene carbonate	438.43
cyrene	262.35
2-ethoxyethyl acetate	437.37
2-ethylhexyl acetate	377.2
1,2,4-trichlorobenzene	747.95
4-methylpyridine	1233.64
dibutyl ether	209.92
2,6-dimethyl-4-heptanol	113.91
DEF	683.81
dimethyl isosorbide	639.74
tetrachloroethylene	878.28
eugenol	280.41
triacetin	373.32
span 80	263.03
1,4-butanediol	69.88
1,1-dichloroethane	1178.8
2-methyl-1-pentanol	195.8
methyl formate	296.07
2-methyl-1-butanol	310.16
n-decane	15.86
butyronitrile	563.06
3,7-dimethyl-1-octanol	145.41
1-chlorooctane	98.32
1-chlorotetradecane	35.87
n-nonane	14.97
undecane	11.08
tert-butylcyclohexane	54.76
cyclooctane	51.68
cyclopentanol	363.84
tetrahydropyran	1515.37
tert-amyl methyl ether	417.69
2,5,8-trioxanonane	578.14
1-hexene	218.06
2-isopropoxyethanol	216.65
2,2,2-trifluoroethanol	97.03
methyl butyrate	417.92

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