Molecular formula
C11H20O

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

Fragrance
Floral	75.19%
Citrus	73.7%
Green	63.79%
Fresh	62.95%
Aldehydic	58.39%
Rose	55.14%
Sweet	54.91%
Lemon	51.77%
Waxy	50.32%
Herbal	49.59%

 

Flavor
Floral	72.64%
Citrus	69.32%
Sweet	60.42%
Waxy	54.47%
Green	54.45%
Rose	48.82%
Herbal	47.37%
Lemon	46.01%
Aldehydic	44.51%
Fruity	43.83%

 

Odor impact est.
High

XLogP3-AA
3.6

pKa est.
9.39 (weak base)

Molecular weight
168.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
219°C

Flash point

• 78.96 ˚C est.

• 3,6,7-trimethyl-6-octenal
• 3,6,7-trimethyloct-6-enal
• SCHEMBL11756496
• MLBZKAIPRQREMZ-UHFFFAOYSA-N

3,6,7-Trimethyl-6-octenal is primarily used as an aroma chemical and fragrance intermediate; in perfumery it can function as an odorant or component of fragrance accords, contributing aldehydic or green notes depending on the formulation, and it is often employed as a building block in the synthesis of other fragrance ingredients. The compound may also be evaluated for flavor applications as a minor aroma component in flavor research. In cosmetics and personal care, it may serve as a scent ingredient within formulations for soaps, lotions, shampoos and related products; in household products and cleaners it can be used to impart or enhance fragrance. In industrial manufacturing it can act as an intermediate in the synthesis of other aroma chemicals or specialty aldehydes, and it may serve as a precursor in coatings/inks formulations where odor contribution is desired. The exact use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1261.38
methanol	740.69
isopropanol	1322.33
water	0.43
ethyl acetate	1300.98
n-propanol	1185.39
acetone	1259.5
n-butanol	1185.41
acetonitrile	1201.66
DMF	658.3
toluene	639.83
isobutanol	847.32
1,4-dioxane	2112.23
methyl acetate	1090.08
THF	2125.07
2-butanone	1406.71
n-pentanol	701.35
sec-butanol	1142.57
n-hexane	346.15
ethylene glycol	83.17
NMP	543.86
cyclohexane	408.99
DMSO	583.38
n-butyl acetate	1063.4
n-octanol	312.77
chloroform	2844.45
n-propyl acetate	716.29
acetic acid	562.29
dichloromethane	1876.29
cyclohexanone	1426.54
propylene glycol	251.98
isopropyl acetate	671.38
DMAc	577.79
2-ethoxyethanol	647.46
isopentanol	931.68
n-heptane	180.15
ethyl formate	588.32
1,2-dichloroethane	1165.44
n-hexanol	1030.97
2-methoxyethanol	943.78
isobutyl acetate	452.22
tetrachloromethane	563.37
n-pentyl acetate	463.58
transcutol	2208.46
n-heptanol	344.7
ethylbenzene	377.51
MIBK	533.97
2-propoxyethanol	1005.06
tert-butanol	1596.1
MTBE	1314.99
2-butoxyethanol	513.02
propionic acid	630.9
o-xylene	367.7
formic acid	101.65
diethyl ether	1339.73
m-xylene	395.83
p-xylene	482.91
chlorobenzene	700.69
dimethyl carbonate	140.44
n-octane	56.99
formamide	167.31
cyclopentanone	1237.15
2-pentanone	961.11
anisole	636.41
cyclopentyl methyl ether	911.12
gamma-butyrolactone	1088.28
1-methoxy-2-propanol	860.0
pyridine	1412.49
3-pentanone	637.63
furfural	991.86
n-dodecane	30.51
diethylene glycol	416.91
diisopropyl ether	348.55
tert-amyl alcohol	1122.93
acetylacetone	684.75
n-hexadecane	36.18
acetophenone	485.71
methyl propionate	627.26
isopentyl acetate	880.28
trichloroethylene	2109.07
n-nonanol	275.02
cyclohexanol	990.83
benzyl alcohol	472.62
2-ethylhexanol	578.8
isooctanol	297.15
dipropyl ether	778.12
1,2-dichlorobenzene	562.35
ethyl lactate	242.39
propylene carbonate	676.08
n-methylformamide	402.11
2-pentanol	860.07
n-pentane	226.15
1-propoxy-2-propanol	886.8
1-methoxy-2-propyl acetate	746.6
2-(2-methoxypropoxy) propanol	477.7
mesitylene	247.81
ε-caprolactone	1236.88
p-cymene	239.43
epichlorohydrin	1484.27
1,1,1-trichloroethane	1684.71
2-aminoethanol	295.87
morpholine-4-carbaldehyde	876.43
sulfolane	795.6
2,2,4-trimethylpentane	93.32
2-methyltetrahydrofuran	1930.07
n-hexyl acetate	630.41
isooctane	83.33
2-(2-butoxyethoxy)ethanol	656.03
sec-butyl acetate	530.71
tert-butyl acetate	651.57
decalin	146.98
glycerin	223.03
diglyme	1150.16
acrylic acid	384.65
isopropyl myristate	241.85
n-butyric acid	1105.61
acetyl acetate	516.85
di(2-ethylhexyl) phthalate	197.58
ethyl propionate	569.3
nitromethane	800.49
1,2-diethoxyethane	975.78
benzonitrile	719.24
trioctyl phosphate	136.62
1-bromopropane	1024.3
gamma-valerolactone	1560.89
n-decanol	197.14
triethyl phosphate	227.25
4-methyl-2-pentanol	440.0
propionitrile	1081.82
vinylene carbonate	585.54
1,1,2-trichlorotrifluoroethane	759.98
DMS	361.08
cumene	249.98
2-octanol	249.47
2-hexanone	786.21
octyl acetate	282.22
limonene	390.22
1,2-dimethoxyethane	1342.58
ethyl orthosilicate	242.97
tributyl phosphate	185.49
diacetone alcohol	648.68
N,N-dimethylaniline	361.16
acrylonitrile	938.43
aniline	728.23
1,3-propanediol	547.1
bromobenzene	745.69
dibromomethane	1474.92
1,1,2,2-tetrachloroethane	1749.79
2-methyl-cyclohexyl acetate	479.27
tetrabutyl urea	207.5
diisobutyl methanol	333.64
2-phenylethanol	528.69
styrene	462.92
dioctyl adipate	304.22
dimethyl sulfate	176.37
ethyl butyrate	695.95
methyl lactate	229.14
butyl lactate	330.06
diethyl carbonate	410.08
propanediol butyl ether	435.77
triethyl orthoformate	440.53
p-tert-butyltoluene	246.96
methyl 4-tert-butylbenzoate	376.06
morpholine	2510.0
tert-butylamine	1107.25
n-dodecanol	147.69
dimethoxymethane	469.22
ethylene carbonate	543.52
cyrene	331.63
2-ethoxyethyl acetate	569.54
2-ethylhexyl acetate	666.48
1,2,4-trichlorobenzene	653.11
4-methylpyridine	1393.68
dibutyl ether	562.74
2,6-dimethyl-4-heptanol	333.64
DEF	725.41
dimethyl isosorbide	717.43
tetrachloroethylene	1088.55
eugenol	352.52
triacetin	488.58
span 80	432.03
1,4-butanediol	191.26
1,1-dichloroethane	1779.03
2-methyl-1-pentanol	588.95
methyl formate	265.51
2-methyl-1-butanol	804.34
n-decane	63.93
butyronitrile	1182.18
3,7-dimethyl-1-octanol	381.82
1-chlorooctane	257.26
1-chlorotetradecane	88.46
n-nonane	67.19
undecane	42.0
tert-butylcyclohexane	150.69
cyclooctane	109.77
cyclopentanol	837.48
tetrahydropyran	2570.48
tert-amyl methyl ether	763.9
2,5,8-trioxanonane	679.76
1-hexene	941.31
2-isopropoxyethanol	534.78
2,2,2-trifluoroethanol	147.51
methyl butyrate	777.99

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