Molecular formula
C15H22O

SMILES
CC(=CCCC(=C)C1CCC(=CC1)C=O)C

Fragrance
Fruity	75.04%
Green	64.0%
Citrus	62.24%
Fatty	55.62%
Aldehydic	54.7%
Fresh	54.06%
Sweet	53.79%
Waxy	47.38%
Floral	45.24%
Orange	41.02%

 

Flavor
Herbal	60.52%
Spicy	49.41%
Fresh	47.36%
Spice	47.09%
Fatty	43.68%
Green	38.51%
Sweet	37.84%
Woody	35.15%
Citrus	34.45%
Fat	33.2%

 

Odor impact est.
Medium

XLogP3-AA
4.5

pKa est.
7.36 (neutral)

Molecular weight
218.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
307°C

Flash point

• 133.9 ˚C est.

• .beta.-bisabolenal
• SCHEMBL3018415
• JZLKKMAUZMMUMS-UHFFFAOYSA-N

beta-Bisabolenal is an aldehyde derived from beta-bisabolene (a sesquiterpene) and is primarily used as an odorant in perfumery and fragrance formulation. It is also used as a fragrance ingredient in cosmetics and personal care products; it may act as a synthetic intermediate in the preparation of other fragrance compounds; it is evaluated for fragrance applications in household and cleaning products; and it may be considered for aroma applications in the food sector or for scenting in polymers/plastics, subject to regulatory limits and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1179.34
methanol	707.72
isopropanol	867.33
water	0.04
ethyl acetate	1940.06
n-propanol	982.99
acetone	741.25
n-butanol	940.94
acetonitrile	654.05
DMF	396.33
toluene	1173.12
isobutanol	539.31
1,4-dioxane	2139.85
methyl acetate	883.22
THF	2134.25
2-butanone	1229.14
n-pentanol	554.99
sec-butanol	791.34
n-hexane	108.91
ethylene glycol	26.65
NMP	229.93
cyclohexane	180.93
DMSO	383.19
n-butyl acetate	1015.87
n-octanol	99.33
chloroform	2442.5
n-propyl acetate	742.38
acetic acid	283.09
dichloromethane	2070.82
cyclohexanone	1036.92
propylene glycol	105.81
isopropyl acetate	1113.49
DMAc	494.33
2-ethoxyethanol	689.38
isopentanol	715.81
n-heptane	40.23
ethyl formate	395.31
1,2-dichloroethane	1525.43
n-hexanol	565.57
2-methoxyethanol	1044.67
isobutyl acetate	421.94
tetrachloromethane	237.96
n-pentyl acetate	336.96
transcutol	4002.39
n-heptanol	142.74
ethylbenzene	348.73
MIBK	620.61
2-propoxyethanol	935.81
tert-butanol	887.35
MTBE	1594.55
2-butoxyethanol	339.46
propionic acid	274.82
o-xylene	366.37
formic acid	60.97
diethyl ether	2763.84
m-xylene	560.22
p-xylene	334.0
chlorobenzene	627.21
dimethyl carbonate	172.0
n-octane	11.24
formamide	144.6
cyclopentanone	764.48
2-pentanone	1158.08
anisole	699.45
cyclopentyl methyl ether	1053.36
gamma-butyrolactone	655.41
1-methoxy-2-propanol	849.83
pyridine	1484.49
3-pentanone	739.38
furfural	616.59
n-dodecane	6.37
diethylene glycol	336.73
diisopropyl ether	488.33
tert-amyl alcohol	724.26
acetylacetone	771.4
n-hexadecane	7.79
acetophenone	427.16
methyl propionate	732.81
isopentyl acetate	843.76
trichloroethylene	2277.67
n-nonanol	99.54
cyclohexanol	615.23
benzyl alcohol	397.87
2-ethylhexanol	293.73
isooctanol	131.94
dipropyl ether	684.7
1,2-dichlorobenzene	469.28
ethyl lactate	175.61
propylene carbonate	418.02
n-methylformamide	243.41
2-pentanol	734.52
n-pentane	110.9
1-propoxy-2-propanol	762.0
1-methoxy-2-propyl acetate	1020.83
2-(2-methoxypropoxy) propanol	440.95
mesitylene	267.97
ε-caprolactone	888.36
p-cymene	142.24
epichlorohydrin	1554.12
1,1,1-trichloroethane	1143.75
2-aminoethanol	160.45
morpholine-4-carbaldehyde	636.88
sulfolane	421.38
2,2,4-trimethylpentane	46.97
2-methyltetrahydrofuran	1798.92
n-hexyl acetate	378.91
isooctane	46.7
2-(2-butoxyethoxy)ethanol	681.75
sec-butyl acetate	630.4
tert-butyl acetate	947.9
decalin	65.66
glycerin	112.0
diglyme	1377.9
acrylic acid	143.86
isopropyl myristate	146.37
n-butyric acid	764.23
acetyl acetate	548.98
di(2-ethylhexyl) phthalate	122.27
ethyl propionate	648.61
nitromethane	485.07
1,2-diethoxyethane	1845.61
benzonitrile	470.65
trioctyl phosphate	69.59
1-bromopropane	1275.1
gamma-valerolactone	1064.57
n-decanol	70.84
triethyl phosphate	192.75
4-methyl-2-pentanol	342.39
propionitrile	690.24
vinylene carbonate	348.59
1,1,2-trichlorotrifluoroethane	490.75
DMS	319.65
cumene	185.55
2-octanol	85.87
2-hexanone	690.96
octyl acetate	153.77
limonene	213.54
1,2-dimethoxyethane	1375.13
ethyl orthosilicate	221.3
tributyl phosphate	114.18
diacetone alcohol	642.39
N,N-dimethylaniline	326.02
acrylonitrile	507.26
aniline	750.25
1,3-propanediol	395.93
bromobenzene	710.63
dibromomethane	1496.08
1,1,2,2-tetrachloroethane	1756.18
2-methyl-cyclohexyl acetate	331.04
tetrabutyl urea	127.03
diisobutyl methanol	200.37
2-phenylethanol	431.2
styrene	458.04
dioctyl adipate	207.25
dimethyl sulfate	146.35
ethyl butyrate	682.4
methyl lactate	169.1
butyl lactate	222.04
diethyl carbonate	365.04
propanediol butyl ether	248.35
triethyl orthoformate	437.48
p-tert-butyltoluene	146.53
methyl 4-tert-butylbenzoate	277.02
morpholine	2674.18
tert-butylamine	619.34
n-dodecanol	52.16
dimethoxymethane	811.74
ethylene carbonate	343.04
cyrene	221.16
2-ethoxyethyl acetate	669.38
2-ethylhexyl acetate	601.04
1,2,4-trichlorobenzene	520.65
4-methylpyridine	1319.23
dibutyl ether	393.17
2,6-dimethyl-4-heptanol	200.37
DEF	851.82
dimethyl isosorbide	694.3
tetrachloroethylene	952.95
eugenol	254.52
triacetin	338.92
span 80	285.29
1,4-butanediol	105.39
1,1-dichloroethane	1556.81
2-methyl-1-pentanol	474.24
methyl formate	138.72
2-methyl-1-butanol	616.66
n-decane	13.22
butyronitrile	905.96
3,7-dimethyl-1-octanol	184.72
1-chlorooctane	92.08
1-chlorotetradecane	30.14
n-nonane	12.89
undecane	8.65
tert-butylcyclohexane	63.62
cyclooctane	50.52
cyclopentanol	340.87
tetrahydropyran	2783.11
tert-amyl methyl ether	863.74
2,5,8-trioxanonane	802.84
1-hexene	507.6
2-isopropoxyethanol	502.59
2,2,2-trifluoroethanol	55.19
methyl butyrate	759.14

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