Molecular formula
C16H26O

SMILES
CC(C)CC(=O)C=CC=C(C)CCC=C(C)C

Fragrance
Fruity	75.41%
Floral	65.71%
Sweet	61.0%
Woody	55.48%
Rose	50.49%
Citrus	50.36%
Tropical	42.23%
Waxy	41.94%
Berry	38.97%
Herbal	37.68%

 

Flavor
Sweet	49.38%
Floral	48.0%
Herbal	40.9%
Citrus	36.64%
Fruity	35.84%
Spicy	34.99%
Green	33.16%
Woody	30.49%
Orange	28.17%
Waxy	27.78%

 

Odor impact est.
Medium

XLogP3-AA
5.2

pKa est.
8.65 (weak base)

Molecular weight
234.38 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
295°C

Flash point

• 127.02 ˚C est.

• SXALYJYYGMQJTM-UHFFFAOYSA-N
• 2,8,12-TRIMETHYL-5,7,11-TRIDECATRIEN-4-ONE

2,8,12-Trimethyl-5,7,11-tridecatrien-4-one is considered a fragrance-related ketone that may function as an intermediate and odorant in fragrance chemistry. It is commonly evaluated for perfumery and cosmetics/personal care as a potential fragrance component or fixative, contributing to fragrance profiles in perfumes and topical products. In industrial manufacturing, it may serve as a building block for synthesizing additional odor compounds or as an intermediate for formulation development. It can also be explored for household product applications as a fragrance ingredient in cleaners or laundry products, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	756.92
methanol	472.68
isopropanol	654.82
water	0.08
ethyl acetate	998.45
n-propanol	582.01
acetone	908.74
n-butanol	718.12
acetonitrile	434.42
DMF	583.64
toluene	578.94
isobutanol	519.17
1,4-dioxane	1348.72
methyl acetate	562.25
THF	2170.12
2-butanone	863.14
n-pentanol	555.42
sec-butanol	664.05
n-hexane	512.01
ethylene glycol	28.29
NMP	747.74
cyclohexane	536.99
DMSO	492.68
n-butyl acetate	1084.54
n-octanol	357.75
chloroform	1863.42
n-propyl acetate	650.67
acetic acid	372.97
dichloromethane	1406.53
cyclohexanone	1332.6
propylene glycol	119.17
isopropyl acetate	762.96
DMAc	681.6
2-ethoxyethanol	440.35
isopentanol	763.69
n-heptane	256.21
ethyl formate	352.15
1,2-dichloroethane	967.71
n-hexanol	887.65
2-methoxyethanol	616.07
isobutyl acetate	502.41
tetrachloromethane	282.45
n-pentyl acetate	538.73
transcutol	2514.36
n-heptanol	340.62
ethylbenzene	385.23
MIBK	655.99
2-propoxyethanol	924.43
tert-butanol	938.74
MTBE	1237.82
2-butoxyethanol	498.03
propionic acid	324.69
o-xylene	361.14
formic acid	51.15
diethyl ether	1230.8
m-xylene	445.72
p-xylene	470.0
chlorobenzene	607.59
dimethyl carbonate	146.58
n-octane	80.6
formamide	76.54
cyclopentanone	1088.83
2-pentanone	949.67
anisole	542.96
cyclopentyl methyl ether	1172.6
gamma-butyrolactone	920.92
1-methoxy-2-propanol	636.51
pyridine	836.58
3-pentanone	604.29
furfural	669.88
n-dodecane	47.54
diethylene glycol	314.39
diisopropyl ether	497.39
tert-amyl alcohol	818.3
acetylacetone	757.02
n-hexadecane	56.1
acetophenone	461.68
methyl propionate	512.18
isopentyl acetate	996.21
trichloroethylene	1648.69
n-nonanol	334.03
cyclohexanol	802.95
benzyl alcohol	366.82
2-ethylhexanol	635.44
isooctanol	307.84
dipropyl ether	889.54
1,2-dichlorobenzene	529.47
ethyl lactate	225.32
propylene carbonate	644.85
n-methylformamide	189.8
2-pentanol	641.63
n-pentane	283.35
1-propoxy-2-propanol	883.39
1-methoxy-2-propyl acetate	832.98
2-(2-methoxypropoxy) propanol	544.29
mesitylene	309.8
ε-caprolactone	1076.4
p-cymene	279.72
epichlorohydrin	1283.82
1,1,1-trichloroethane	1144.31
2-aminoethanol	127.57
morpholine-4-carbaldehyde	827.67
sulfolane	867.87
2,2,4-trimethylpentane	136.76
2-methyltetrahydrofuran	1790.28
n-hexyl acetate	844.76
isooctane	123.89
2-(2-butoxyethoxy)ethanol	768.97
sec-butyl acetate	560.39
tert-butyl acetate	817.41
decalin	227.79
glycerin	124.88
diglyme	1227.88
acrylic acid	186.43
isopropyl myristate	331.96
n-butyric acid	787.04
acetyl acetate	480.66
di(2-ethylhexyl) phthalate	258.91
ethyl propionate	533.6
nitromethane	455.73
1,2-diethoxyethane	1108.89
benzonitrile	495.68
trioctyl phosphate	189.12
1-bromopropane	865.26
gamma-valerolactone	1237.64
n-decanol	242.04
triethyl phosphate	260.82
4-methyl-2-pentanol	421.08
propionitrile	420.38
vinylene carbonate	457.45
1,1,2-trichlorotrifluoroethane	596.6
DMS	418.72
cumene	285.97
2-octanol	264.51
2-hexanone	731.54
octyl acetate	393.51
limonene	497.33
1,2-dimethoxyethane	1019.28
ethyl orthosilicate	286.7
tributyl phosphate	261.5
diacetone alcohol	668.42
N,N-dimethylaniline	385.33
acrylonitrile	315.62
aniline	500.41
1,3-propanediol	293.36
bromobenzene	680.85
dibromomethane	1133.06
1,1,2,2-tetrachloroethane	1502.48
2-methyl-cyclohexyl acetate	565.57
tetrabutyl urea	309.16
diisobutyl methanol	356.52
2-phenylethanol	485.66
styrene	417.3
dioctyl adipate	423.81
dimethyl sulfate	191.57
ethyl butyrate	690.89
methyl lactate	180.24
butyl lactate	370.5
diethyl carbonate	388.41
propanediol butyl ether	429.58
triethyl orthoformate	472.31
p-tert-butyltoluene	266.6
methyl 4-tert-butylbenzoate	439.84
morpholine	1618.81
tert-butylamine	741.98
n-dodecanol	182.13
dimethoxymethane	581.34
ethylene carbonate	439.83
cyrene	385.96
2-ethoxyethyl acetate	644.94
2-ethylhexyl acetate	797.85
1,2,4-trichlorobenzene	617.15
4-methylpyridine	1023.8
dibutyl ether	760.24
2,6-dimethyl-4-heptanol	356.52
DEF	742.47
dimethyl isosorbide	894.89
tetrachloroethylene	812.47
eugenol	381.92
triacetin	582.39
span 80	538.45
1,4-butanediol	106.82
1,1-dichloroethane	1102.38
2-methyl-1-pentanol	596.54
methyl formate	147.89
2-methyl-1-butanol	642.05
n-decane	95.45
butyronitrile	717.24
3,7-dimethyl-1-octanol	442.6
1-chlorooctane	343.89
1-chlorotetradecane	132.03
n-nonane	103.98
undecane	64.0
tert-butylcyclohexane	220.37
cyclooctane	188.55
cyclopentanol	575.24
tetrahydropyran	1973.06
tert-amyl methyl ether	850.67
2,5,8-trioxanonane	758.64
1-hexene	986.0
2-isopropoxyethanol	420.26
2,2,2-trifluoroethanol	83.12
methyl butyrate	719.35

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