Molecular formula
C8H16O2

SMILES
CCCC(=O)C(CC)OC

Fragrance
Fruity	78.41%
Sweet	63.65%
Ethereal	38.49%
Herbal	37.16%
Buttery	37.14%
Caramellic	35.35%
Nutty	33.54%
Earthy	31.16%
Mint	29.08%
Pungent	28.61%

 

Flavor
Fruity	66.06%
Sweet	58.49%
Pineapple	35.81%
Berry	33.37%
Cheese	32.3%
Caramel	30.62%
Butter	29.75%
Fruit	29.28%
Fatty	28.85%
Creamy	28.72%

 

Odor impact est.
Medium

XLogP3-AA
1.6

pKa est.
8.12 (weak base)

Molecular weight
144.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
170°C

Flash point

• 51.57 ˚C est.

• 3-METHOXY-4-HEPTANONE
• SCHEMBL1781366
• PPVIGLHWNQLEQO-UHFFFAOYSA-N
• AKOS020762193

3-Methoxy-4-heptanone is commonly used as an aroma/odorant ingredient in perfumery; it may be evaluated for flavor/aroma applications in food formulations; in cosmetics and personal care it can serve as a fragrance component; in household products it functions as a fragrance additive in cleaners and air fresheners; in industrial manufacturing it is used as an intermediate in the synthesis of fragrance-related compounds and specialty polymers.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5193.13
methanol	7503.27
isopropanol	3270.06
water	21.52
ethyl acetate	1799.97
n-propanol	3554.3
acetone	2702.76
n-butanol	2938.61
acetonitrile	4785.92
DMF	2331.48
toluene	916.67
isobutanol	2385.43
1,4-dioxane	4104.31
methyl acetate	2046.77
THF	3413.76
2-butanone	1960.98
n-pentanol	1996.97
sec-butanol	2771.65
n-hexane	510.56
ethylene glycol	1061.26
NMP	2110.93
cyclohexane	1194.09
DMSO	2239.98
n-butyl acetate	2038.65
n-octanol	1110.57
chloroform	10098.62
n-propyl acetate	1481.51
acetic acid	5297.29
dichloromethane	9869.55
cyclohexanone	3347.92
propylene glycol	1068.78
isopropyl acetate	868.36
DMAc	1456.97
2-ethoxyethanol	2275.12
isopentanol	1917.59
n-heptane	445.93
ethyl formate	2351.51
1,2-dichloroethane	3983.35
n-hexanol	2032.5
2-methoxyethanol	3473.19
isobutyl acetate	793.58
tetrachloromethane	2062.24
n-pentyl acetate	1189.78
transcutol	3322.89
n-heptanol	943.47
ethylbenzene	629.19
MIBK	712.03
2-propoxyethanol	2148.01
tert-butanol	2888.95
MTBE	1695.94
2-butoxyethanol	1313.0
propionic acid	2673.19
o-xylene	570.84
formic acid	2073.42
diethyl ether	2000.47
m-xylene	515.28
p-xylene	935.46
chlorobenzene	2277.93
dimethyl carbonate	440.5
n-octane	178.65
formamide	2178.65
cyclopentanone	2655.7
2-pentanone	1360.96
anisole	1150.13
cyclopentyl methyl ether	1505.09
gamma-butyrolactone	3576.03
1-methoxy-2-propanol	1705.73
pyridine	3810.7
3-pentanone	988.53
furfural	3430.0
n-dodecane	125.97
diethylene glycol	1616.37
diisopropyl ether	463.72
tert-amyl alcohol	2330.89
acetylacetone	1147.02
n-hexadecane	141.99
acetophenone	1051.26
methyl propionate	1114.26
isopentyl acetate	1383.13
trichloroethylene	7440.1
n-nonanol	847.09
cyclohexanol	2703.08
benzyl alcohol	1265.74
2-ethylhexanol	1189.31
isooctanol	722.45
dipropyl ether	1073.72
1,2-dichlorobenzene	1873.42
ethyl lactate	609.45
propylene carbonate	2168.09
n-methylformamide	2428.64
2-pentanol	1590.04
n-pentane	502.34
1-propoxy-2-propanol	1435.39
1-methoxy-2-propyl acetate	893.1
2-(2-methoxypropoxy) propanol	773.01
mesitylene	358.74
ε-caprolactone	2754.79
p-cymene	517.3
epichlorohydrin	3744.16
1,1,1-trichloroethane	3996.3
2-aminoethanol	1886.55
morpholine-4-carbaldehyde	2274.08
sulfolane	2949.11
2,2,4-trimethylpentane	214.53
2-methyltetrahydrofuran	2952.79
n-hexyl acetate	1593.07
isooctane	146.45
2-(2-butoxyethoxy)ethanol	1125.48
sec-butyl acetate	758.95
tert-butyl acetate	788.07
decalin	307.95
glycerin	1186.74
diglyme	2397.06
acrylic acid	2331.14
isopropyl myristate	530.12
n-butyric acid	3516.2
acetyl acetate	1063.41
di(2-ethylhexyl) phthalate	449.54
ethyl propionate	984.1
nitromethane	4920.17
1,2-diethoxyethane	1431.35
benzonitrile	2426.33
trioctyl phosphate	385.72
1-bromopropane	2538.45
gamma-valerolactone	3291.42
n-decanol	550.7
triethyl phosphate	500.93
4-methyl-2-pentanol	688.55
propionitrile	3184.58
vinylene carbonate	2346.33
1,1,2-trichlorotrifluoroethane	2733.87
DMS	774.35
cumene	426.91
2-octanol	753.14
2-hexanone	1355.11
octyl acetate	694.72
limonene	804.92
1,2-dimethoxyethane	3256.54
ethyl orthosilicate	487.97
tributyl phosphate	486.49
diacetone alcohol	878.77
N,N-dimethylaniline	685.73
acrylonitrile	3480.57
aniline	1412.52
1,3-propanediol	2434.22
bromobenzene	2355.45
dibromomethane	6043.56
1,1,2,2-tetrachloroethane	5317.92
2-methyl-cyclohexyl acetate	826.33
tetrabutyl urea	578.85
diisobutyl methanol	558.32
2-phenylethanol	1078.9
styrene	947.56
dioctyl adipate	707.15
dimethyl sulfate	629.13
ethyl butyrate	1294.36
methyl lactate	577.7
butyl lactate	787.97
diethyl carbonate	894.43
propanediol butyl ether	1109.93
triethyl orthoformate	832.3
p-tert-butyltoluene	440.83
methyl 4-tert-butylbenzoate	762.51
morpholine	4352.91
tert-butylamine	2099.82
n-dodecanol	413.2
dimethoxymethane	1307.13
ethylene carbonate	1972.35
cyrene	728.59
2-ethoxyethyl acetate	1114.89
2-ethylhexyl acetate	1074.27
1,2,4-trichlorobenzene	1964.15
4-methylpyridine	2952.83
dibutyl ether	1121.22
2,6-dimethyl-4-heptanol	558.32
DEF	1540.18
dimethyl isosorbide	1153.35
tetrachloroethylene	4364.61
eugenol	801.48
triacetin	993.87
span 80	825.47
1,4-butanediol	1230.3
1,1-dichloroethane	4385.32
2-methyl-1-pentanol	1509.89
methyl formate	1993.11
2-methyl-1-butanol	1993.37
n-decane	224.59
butyronitrile	3623.22
3,7-dimethyl-1-octanol	847.15
1-chlorooctane	777.23
1-chlorotetradecane	283.76
n-nonane	246.91
undecane	157.96
tert-butylcyclohexane	274.36
cyclooctane	274.42
cyclopentanol	2589.89
tetrahydropyran	3950.18
tert-amyl methyl ether	1051.87
2,5,8-trioxanonane	1285.35
1-hexene	1274.69
2-isopropoxyethanol	1303.03
2,2,2-trifluoroethanol	1244.05
methyl butyrate	1714.68

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