Molecular formula
C15H18O

SMILES
CC1=CCCC(C1=O)(C)CC2=CC=CC=C2

Fragrance
Fruity	80.25%
Floral	55.03%
Herbal	41.77%
Mint	39.33%
Woody	36.6%
Sweet	35.99%
Rose	34.96%
Berry	34.77%
Tobacco	33.75%
Fresh	32.0%

 

Flavor
Herbal	36.89%
Woody	36.45%
Spicy	31.18%
Floral	28.65%
Balsam	25.92%
Sweet	25.62%
Minty	24.61%
Spice	24.6%
Fresh	24.6%
Tobacco	23.1%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
8.17 (weak base)

Molecular weight
214.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
314°C

Flash point

• 132.41 ˚C est.

• SCHEMBL4415297

Chemical name: 6-Benzyl-2,6-dimethylcyclohex-2-en-1-one (CAS number: ) is primarily used as a fragrance intermediate in the perfumery industry, aiding the development of specific scent notes; it may also serve as an odorant or fragrance ingredient in cosmetics and personal care products; it may appear in household cleaners as a fragrance component; in industrial manufacturing, it acts as an organic synthesis intermediate for developing related aroma chemicals.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	342.22
methanol	437.84
isopropanol	207.35
water	0.6
ethyl acetate	726.01
n-propanol	273.88
acetone	413.23
n-butanol	324.35
acetonitrile	407.27
DMF	527.06
toluene	609.48
isobutanol	200.47
1,4-dioxane	890.71
methyl acetate	463.23
THF	660.12
2-butanone	474.49
n-pentanol	177.15
sec-butanol	160.66
n-hexane	43.38
ethylene glycol	32.16
NMP	289.38
cyclohexane	75.74
DMSO	166.47
n-butyl acetate	577.48
n-octanol	125.76
chloroform	1730.23
n-propyl acetate	365.08
acetic acid	251.36
dichloromethane	1518.27
cyclohexanone	719.59
propylene glycol	46.17
isopropyl acetate	452.63
DMAc	458.98
2-ethoxyethanol	274.31
isopentanol	332.71
n-heptane	28.43
ethyl formate	317.23
1,2-dichloroethane	951.29
n-hexanol	289.94
2-methoxyethanol	454.38
isobutyl acetate	290.16
tetrachloromethane	177.8
n-pentyl acetate	266.05
transcutol	1908.2
n-heptanol	148.72
ethylbenzene	283.88
MIBK	369.58
2-propoxyethanol	444.52
tert-butanol	307.36
MTBE	452.9
2-butoxyethanol	270.87
propionic acid	184.73
o-xylene	281.09
formic acid	82.33
diethyl ether	677.39
m-xylene	356.02
p-xylene	293.44
chlorobenzene	618.44
dimethyl carbonate	211.14
n-octane	14.77
formamide	167.91
cyclopentanone	518.37
2-pentanone	486.36
anisole	544.01
cyclopentyl methyl ether	364.48
gamma-butyrolactone	520.12
1-methoxy-2-propanol	316.41
pyridine	781.64
3-pentanone	403.08
furfural	579.4
n-dodecane	11.53
diethylene glycol	223.64
diisopropyl ether	188.85
tert-amyl alcohol	238.42
acetylacetone	494.93
n-hexadecane	13.78
acetophenone	423.69
methyl propionate	398.81
isopentyl acetate	518.39
trichloroethylene	1663.1
n-nonanol	120.67
cyclohexanol	221.74
benzyl alcohol	305.92
2-ethylhexanol	196.09
isooctanol	133.83
dipropyl ether	283.76
1,2-dichlorobenzene	517.39
ethyl lactate	120.63
propylene carbonate	372.13
n-methylformamide	261.33
2-pentanol	191.41
n-pentane	40.62
1-propoxy-2-propanol	300.7
1-methoxy-2-propyl acetate	450.59
2-(2-methoxypropoxy) propanol	282.57
mesitylene	211.13
ε-caprolactone	537.92
p-cymene	138.56
epichlorohydrin	875.14
1,1,1-trichloroethane	707.27
2-aminoethanol	101.85
morpholine-4-carbaldehyde	556.85
sulfolane	358.87
2,2,4-trimethylpentane	27.34
2-methyltetrahydrofuran	442.91
n-hexyl acetate	360.47
isooctane	30.53
2-(2-butoxyethoxy)ethanol	421.41
sec-butyl acetate	296.86
tert-butyl acetate	425.68
decalin	50.11
glycerin	79.22
diglyme	853.29
acrylic acid	160.0
isopropyl myristate	134.55
n-butyric acid	391.86
acetyl acetate	379.3
di(2-ethylhexyl) phthalate	126.69
ethyl propionate	340.75
nitromethane	487.73
1,2-diethoxyethane	670.42
benzonitrile	437.21
trioctyl phosphate	79.08
1-bromopropane	498.69
gamma-valerolactone	749.24
n-decanol	82.45
triethyl phosphate	134.7
4-methyl-2-pentanol	171.5
propionitrile	401.21
vinylene carbonate	436.92
1,1,2-trichlorotrifluoroethane	376.51
DMS	301.69
cumene	181.45
2-octanol	95.03
2-hexanone	320.04
octyl acetate	157.0
limonene	159.51
1,2-dimethoxyethane	614.05
ethyl orthosilicate	146.72
tributyl phosphate	110.27
diacetone alcohol	325.89
N,N-dimethylaniline	313.62
acrylonitrile	455.82
aniline	432.73
1,3-propanediol	202.38
bromobenzene	668.9
dibromomethane	907.42
1,1,2,2-tetrachloroethane	1107.16
2-methyl-cyclohexyl acetate	253.39
tetrabutyl urea	129.38
diisobutyl methanol	123.8
2-phenylethanol	327.31
styrene	372.84
dioctyl adipate	177.73
dimethyl sulfate	193.58
ethyl butyrate	368.93
methyl lactate	127.76
butyl lactate	173.5
diethyl carbonate	239.98
propanediol butyl ether	198.46
triethyl orthoformate	231.42
p-tert-butyltoluene	134.88
methyl 4-tert-butylbenzoate	278.49
morpholine	763.33
tert-butylamine	222.39
n-dodecanol	60.21
dimethoxymethane	543.03
ethylene carbonate	362.28
cyrene	207.96
2-ethoxyethyl acetate	424.95
2-ethylhexyl acetate	371.67
1,2,4-trichlorobenzene	514.01
4-methylpyridine	791.26
dibutyl ether	227.52
2,6-dimethyl-4-heptanol	123.8
DEF	468.98
dimethyl isosorbide	450.82
tetrachloroethylene	747.85
eugenol	267.98
triacetin	316.33
span 80	204.6
1,4-butanediol	72.27
1,1-dichloroethane	773.97
2-methyl-1-pentanol	225.25
methyl formate	213.15
2-methyl-1-butanol	257.26
n-decane	21.13
butyronitrile	474.23
3,7-dimethyl-1-octanol	151.11
1-chlorooctane	112.25
1-chlorotetradecane	39.81
n-nonane	18.98
undecane	14.85
tert-butylcyclohexane	49.29
cyclooctane	28.56
cyclopentanol	128.87
tetrahydropyran	679.12
tert-amyl methyl ether	289.67
2,5,8-trioxanonane	518.38
1-hexene	167.5
2-isopropoxyethanol	220.48
2,2,2-trifluoroethanol	88.17
methyl butyrate	414.68

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