Molecular formula
C10H18O

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

Fragrance
Green	74.54%
Fresh	65.97%
Citrus	58.74%
Sweet	56.2%
Floral	54.8%
Aldehydic	53.45%
Herbal	44.16%
Melon	38.82%
Lemon	37.66%
Fruity	36.89%

 

Flavor
Green	57.3%
Citrus	47.59%
Herbal	42.01%
Floral	41.71%
Fresh	33.21%
Spicy	30.62%
Sweet	30.46%
Herb	29.2%
Fruity	28.36%
Tropical	26.69%

 

Odor impact est.
High

XLogP3-AA
3.0

pKa est.
9.17 (weak base)

Molecular weight
154.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
194°C

Flash point

• 74.14 ˚C est.

• 2,5,6-Trimethylhept-4-enal
• EINECS 280-029-5
• SCHEMBL713722
• XHOFTJRCBBQRFB-UXBLZVDNSA-N

2,5,6-Trimethylhept-4-enal is primarily used as an odorant in perfumery and personal care formulations, contributing to green, fresh or floral notes as a fragrance ingredient or fixative in cosmetics. It is commonly evaluated for use in household products such as air fresheners and cleaners where its aroma enhances consumer perception. In flavors and aroma applications, it may be used as a minor ingredient to impart nuanced aroma characteristics. It also serves as an intermediate in industrial manufacturing, where it can be a building block for fragrance and specialty chemical syntheses. Additionally, in coatings and inks, it may be incorporated as a fragrance additive to impart scent profiles to finished products. These applications are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	899.96
methanol	442.34
isopropanol	956.91
water	0.43
ethyl acetate	1375.27
n-propanol	882.13
acetone	1567.24
n-butanol	940.65
acetonitrile	1366.03
DMF	912.31
toluene	662.12
isobutanol	722.78
1,4-dioxane	1534.62
methyl acetate	1210.05
THF	1963.93
2-butanone	1766.95
n-pentanol	600.31
sec-butanol	1018.15
n-hexane	324.36
ethylene glycol	71.48
NMP	1034.47
cyclohexane	330.51
DMSO	926.95
n-butyl acetate	1306.98
n-octanol	345.12
chloroform	3058.5
n-propyl acetate	883.76
acetic acid	564.21
dichloromethane	2607.07
cyclohexanone	1811.59
propylene glycol	194.53
isopropyl acetate	728.21
DMAc	791.08
2-ethoxyethanol	541.16
isopentanol	891.81
n-heptane	143.38
ethyl formate	675.69
1,2-dichloroethane	1510.17
n-hexanol	812.25
2-methoxyethanol	769.27
isobutyl acetate	514.45
tetrachloromethane	763.6
n-pentyl acetate	606.77
transcutol	2444.62
n-heptanol	358.76
ethylbenzene	436.34
MIBK	623.74
2-propoxyethanol	829.07
tert-butanol	1308.54
MTBE	1317.24
2-butoxyethanol	527.88
propionic acid	669.78
o-xylene	426.42
formic acid	113.3
diethyl ether	1209.74
m-xylene	433.62
p-xylene	571.15
chlorobenzene	934.92
dimethyl carbonate	212.25
n-octane	49.81
formamide	227.15
cyclopentanone	1829.42
2-pentanone	1261.33
anisole	754.47
cyclopentyl methyl ether	1014.35
gamma-butyrolactone	1611.38
1-methoxy-2-propanol	696.08
pyridine	1491.71
3-pentanone	840.09
furfural	1433.84
n-dodecane	26.18
diethylene glycol	347.24
diisopropyl ether	353.72
tert-amyl alcohol	1173.95
acetylacetone	892.66
n-hexadecane	31.75
acetophenone	640.76
methyl propionate	739.16
isopentyl acetate	1058.04
trichloroethylene	3107.26
n-nonanol	295.85
cyclohexanol	864.19
benzyl alcohol	507.1
2-ethylhexanol	587.21
isooctanol	320.2
dipropyl ether	668.43
1,2-dichlorobenzene	807.4
ethyl lactate	271.99
propylene carbonate	995.66
n-methylformamide	505.74
2-pentanol	760.47
n-pentane	212.36
1-propoxy-2-propanol	807.01
1-methoxy-2-propyl acetate	794.81
2-(2-methoxypropoxy) propanol	547.84
mesitylene	284.24
ε-caprolactone	1442.55
p-cymene	284.58
epichlorohydrin	1915.11
1,1,1-trichloroethane	2158.06
2-aminoethanol	235.71
morpholine-4-carbaldehyde	1025.96
sulfolane	1506.6
2,2,4-trimethylpentane	107.09
2-methyltetrahydrofuran	2104.76
n-hexyl acetate	849.85
isooctane	86.65
2-(2-butoxyethoxy)ethanol	719.33
sec-butyl acetate	628.49
tert-butyl acetate	763.63
decalin	151.34
glycerin	193.38
diglyme	1258.42
acrylic acid	468.82
isopropyl myristate	280.39
n-butyric acid	1097.98
acetyl acetate	597.17
di(2-ethylhexyl) phthalate	258.99
ethyl propionate	700.58
nitromethane	1069.44
1,2-diethoxyethane	997.79
benzonitrile	851.78
trioctyl phosphate	179.26
1-bromopropane	1181.41
gamma-valerolactone	1732.66
n-decanol	203.88
triethyl phosphate	278.36
4-methyl-2-pentanol	409.71
propionitrile	1077.01
vinylene carbonate	778.73
1,1,2-trichlorotrifluoroethane	1031.4
DMS	484.23
cumene	296.53
2-octanol	281.37
2-hexanone	999.23
octyl acetate	349.18
limonene	439.26
1,2-dimethoxyethane	1081.17
ethyl orthosilicate	285.93
tributyl phosphate	247.53
diacetone alcohol	737.11
N,N-dimethylaniline	444.62
acrylonitrile	1040.96
aniline	787.19
1,3-propanediol	422.75
bromobenzene	1005.88
dibromomethane	1949.7
1,1,2,2-tetrachloroethane	2181.26
2-methyl-cyclohexyl acetate	583.45
tetrabutyl urea	274.54
diisobutyl methanol	333.04
2-phenylethanol	540.58
styrene	546.65
dioctyl adipate	395.81
dimethyl sulfate	337.39
ethyl butyrate	834.03
methyl lactate	262.04
butyl lactate	426.74
diethyl carbonate	482.44
propanediol butyl ether	487.21
triethyl orthoformate	488.45
p-tert-butyltoluene	280.66
methyl 4-tert-butylbenzoate	490.06
morpholine	1856.39
tert-butylamine	954.08
n-dodecanol	144.42
dimethoxymethane	485.54
ethylene carbonate	641.69
cyrene	432.76
2-ethoxyethyl acetate	683.2
2-ethylhexyl acetate	817.95
1,2,4-trichlorobenzene	973.47
4-methylpyridine	1572.43
dibutyl ether	562.02
2,6-dimethyl-4-heptanol	333.04
DEF	985.03
dimethyl isosorbide	875.42
tetrachloroethylene	1416.81
eugenol	459.42
triacetin	622.15
span 80	497.7
1,4-butanediol	167.7
1,1-dichloroethane	2027.79
2-methyl-1-pentanol	661.64
methyl formate	351.61
2-methyl-1-butanol	849.18
n-decane	56.74
butyronitrile	1312.55
3,7-dimethyl-1-octanol	420.28
1-chlorooctane	292.93
1-chlorotetradecane	87.33
n-nonane	62.14
undecane	36.57
tert-butylcyclohexane	156.88
cyclooctane	98.71
cyclopentanol	809.84
tetrahydropyran	1993.72
tert-amyl methyl ether	825.87
2,5,8-trioxanonane	784.94
1-hexene	891.63
2-isopropoxyethanol	483.79
2,2,2-trifluoroethanol	185.47
methyl butyrate	1013.71

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