Molecular formula
C13H22O

SMILES
CC(C)C/C(=C/CC/C(=C/C=O)/C)/C

Fragrance
Floral	72.96%
Fruity	66.63%
Citrus	64.43%
Sweet	54.0%
Waxy	52.51%
Fresh	50.61%
Aldehydic	49.85%
Rose	48.96%
Lemon	44.61%
Herbal	42.52%

 

Flavor
Floral	73.62%
Sweet	59.18%
Citrus	56.86%
Waxy	45.08%
Green	44.6%
Fruity	42.68%
Bitter	40.24%
Rose	40.06%
Herbal	38.07%
Lemon	37.34%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
8.83 (weak base)

Molecular weight
194.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
252°C

Flash point

• 107.85 ˚C est.

• Isobutylcitral
• AI3-36191
• SCHEMBL8602793
• INLBYQNSKXMVTI-SWZPTJTJSA-N

(2E,6E)-3,7,9-trimethyldeca-2,6-dienal is typically used in perfumery as a fragrance ingredient and odorant; it may also serve as an aroma compound in flavor applications; in cosmetics and personal care products, it can appear as a fragrance component in creams, lotions, and other formulations; in household products and cleaners it acts as a scent additive for cleaning agents and air fresheners; in industrial manufacturing it can serve as a building block or intermediate in the synthesis of fragrance and terpenoid-related compounds; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1456.54
methanol	1136.03
isopropanol	1230.3
water	0.1
ethyl acetate	1009.11
n-propanol	1065.16
acetone	1079.15
n-butanol	1151.0
acetonitrile	632.85
DMF	590.03
toluene	466.89
isobutanol	761.1
1,4-dioxane	1533.02
methyl acetate	611.56
THF	2306.82
2-butanone	957.99
n-pentanol	747.22
sec-butanol	885.02
n-hexane	439.42
ethylene glycol	63.96
NMP	498.49
cyclohexane	449.1
DMSO	489.36
n-butyl acetate	1009.21
n-octanol	287.87
chloroform	1558.33
n-propyl acetate	603.09
acetic acid	417.88
dichloromethane	1173.1
cyclohexanone	1170.1
propylene glycol	191.78
isopropyl acetate	659.0
DMAc	430.2
2-ethoxyethanol	595.86
isopentanol	906.08
n-heptane	245.55
ethyl formate	385.23
1,2-dichloroethane	869.64
n-hexanol	1219.53
2-methoxyethanol	900.81
isobutyl acetate	411.64
tetrachloromethane	275.56
n-pentyl acetate	386.01
transcutol	2164.39
n-heptanol	327.96
ethylbenzene	250.9
MIBK	576.42
2-propoxyethanol	1175.13
tert-butanol	1348.38
MTBE	1390.86
2-butoxyethanol	464.73
propionic acid	376.75
o-xylene	255.79
formic acid	77.75
diethyl ether	1599.0
m-xylene	363.29
p-xylene	280.64
chlorobenzene	438.72
dimethyl carbonate	112.94
n-octane	69.19
formamide	97.88
cyclopentanone	987.66
2-pentanone	1021.12
anisole	382.31
cyclopentyl methyl ether	1088.11
gamma-butyrolactone	777.14
1-methoxy-2-propanol	801.57
pyridine	787.91
3-pentanone	550.89
furfural	579.11
n-dodecane	35.48
diethylene glycol	426.64
diisopropyl ether	458.78
tert-amyl alcohol	859.73
acetylacetone	601.81
n-hexadecane	41.23
acetophenone	298.37
methyl propionate	494.58
isopentyl acetate	859.06
trichloroethylene	1295.22
n-nonanol	248.17
cyclohexanol	872.04
benzyl alcohol	313.1
2-ethylhexanol	612.95
isooctanol	275.24
dipropyl ether	885.68
1,2-dichlorobenzene	346.04
ethyl lactate	187.19
propylene carbonate	471.69
n-methylformamide	268.68
2-pentanol	854.09
n-pentane	332.29
1-propoxy-2-propanol	1022.03
1-methoxy-2-propyl acetate	748.01
2-(2-methoxypropoxy) propanol	410.12
mesitylene	233.52
ε-caprolactone	873.76
p-cymene	197.69
epichlorohydrin	1133.65
1,1,1-trichloroethane	969.72
2-aminoethanol	248.82
morpholine-4-carbaldehyde	692.73
sulfolane	667.33
2,2,4-trimethylpentane	101.24
2-methyltetrahydrofuran	1728.57
n-hexyl acetate	566.62
isooctane	111.21
2-(2-butoxyethoxy)ethanol	638.32
sec-butyl acetate	448.48
tert-butyl acetate	711.18
decalin	144.16
glycerin	167.0
diglyme	1075.44
acrylic acid	200.34
isopropyl myristate	218.2
n-butyric acid	864.8
acetyl acetate	363.45
di(2-ethylhexyl) phthalate	178.07
ethyl propionate	439.02
nitromethane	463.88
1,2-diethoxyethane	1002.81
benzonitrile	417.23
trioctyl phosphate	131.91
1-bromopropane	894.08
gamma-valerolactone	1112.88
n-decanol	185.77
triethyl phosphate	183.22
4-methyl-2-pentanol	425.67
propionitrile	584.25
vinylene carbonate	363.27
1,1,2-trichlorotrifluoroethane	534.89
DMS	275.6
cumene	183.45
2-octanol	217.06
2-hexanone	722.38
octyl acetate	262.22
limonene	374.46
1,2-dimethoxyethane	1098.5
ethyl orthosilicate	209.78
tributyl phosphate	174.93
diacetone alcohol	611.77
N,N-dimethylaniline	250.68
acrylonitrile	418.69
aniline	458.11
1,3-propanediol	451.46
bromobenzene	459.04
dibromomethane	986.17
1,1,2,2-tetrachloroethane	1070.35
2-methyl-cyclohexyl acetate	409.02
tetrabutyl urea	198.94
diisobutyl methanol	326.49
2-phenylethanol	443.49
styrene	281.77
dioctyl adipate	274.14
dimethyl sulfate	127.7
ethyl butyrate	573.78
methyl lactate	167.19
butyl lactate	274.53
diethyl carbonate	291.21
propanediol butyl ether	387.52
triethyl orthoformate	378.41
p-tert-butyltoluene	201.79
methyl 4-tert-butylbenzoate	290.91
morpholine	1897.95
tert-butylamine	992.25
n-dodecanol	144.02
dimethoxymethane	609.76
ethylene carbonate	347.25
cyrene	282.0
2-ethoxyethyl acetate	483.86
2-ethylhexyl acetate	641.02
1,2,4-trichlorobenzene	378.57
4-methylpyridine	829.31
dibutyl ether	553.47
2,6-dimethyl-4-heptanol	326.49
DEF	620.63
dimethyl isosorbide	652.46
tetrachloroethylene	646.37
eugenol	275.53
triacetin	368.88
span 80	398.01
1,4-butanediol	153.64
1,1-dichloroethane	1134.43
2-methyl-1-pentanol	590.75
methyl formate	179.99
2-methyl-1-butanol	745.84
n-decane	71.12
butyronitrile	931.13
3,7-dimethyl-1-octanol	340.24
1-chlorooctane	249.36
1-chlorotetradecane	93.05
n-nonane	80.61
undecane	47.61
tert-butylcyclohexane	149.13
cyclooctane	139.33
cyclopentanol	668.53
tetrahydropyran	2195.45
tert-amyl methyl ether	784.37
2,5,8-trioxanonane	611.42
1-hexene	945.26
2-isopropoxyethanol	476.98
2,2,2-trifluoroethanol	78.79
methyl butyrate	590.83

Scent© AI