Molecular formula
C12H22O2

SMILES
CCCCCC=COC(=O)CC(C)C

Fragrance
Fruity	95.4%
Green	88.68%
Apple	68.78%
Tropical	67.63%
Pineapple	53.8%
Waxy	47.67%
Pear	44.89%
Banana	37.39%
Melon	36.48%
Fresh	31.51%

 

Flavor
Fruity	63.05%
Green	55.89%
Waxy	41.13%
Tropical	39.65%
Oily	37.55%
Herbal	33.71%
Floral	31.87%
Pear	31.47%
Apple	31.45%
Fatty	29.04%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
7.98 (neutral)

Molecular weight
198.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
231°C

Flash point

• 100.65 ˚C est.

Hept-1-enyl 3-methylbutanoate is commonly used as a fragrance ingredient in perfumery, contributing green-to-fruity notes in cosmetic formulations; it may also serve as a flavor/aroma component in food processing under regulatory controls. In household products such as cleaners and air fresheners, it functions as an odorant additive to impart a fresh scent. In industrial manufacturing, it is often evaluated as an intermediate for the synthesis of other fragrance compounds. Additionally, it can be used in coatings and inks as a specialized odorant additive. Use in all applications is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4460.51
methanol	3927.07
isopropanol	4183.65
water	0.15
ethyl acetate	3800.97
n-propanol	3559.62
acetone	7517.58
n-butanol	3727.51
acetonitrile	3090.99
DMF	5272.09
toluene	1492.17
isobutanol	3193.73
1,4-dioxane	3756.66
methyl acetate	2606.68
THF	7669.6
2-butanone	4765.32
n-pentanol	2451.11
sec-butanol	3895.31
n-hexane	1330.2
ethylene glycol	337.2
NMP	4411.21
cyclohexane	1371.22
DMSO	5178.78
n-butyl acetate	3253.94
n-octanol	1023.91
chloroform	7194.14
n-propyl acetate	2320.86
acetic acid	3263.93
dichloromethane	6453.33
cyclohexanone	7152.5
propylene glycol	890.21
isopropyl acetate	2352.71
DMAc	3023.88
2-ethoxyethanol	1738.06
isopentanol	3350.9
n-heptane	357.55
ethyl formate	1818.67
1,2-dichloroethane	5072.41
n-hexanol	2723.02
2-methoxyethanol	3349.02
isobutyl acetate	1420.74
tetrachloromethane	905.91
n-pentyl acetate	1455.92
transcutol	6429.28
n-heptanol	895.09
ethylbenzene	865.14
MIBK	2256.01
2-propoxyethanol	2779.42
tert-butanol	4508.52
MTBE	4184.21
2-butoxyethanol	1290.9
propionic acid	2254.33
o-xylene	870.33
formic acid	506.93
diethyl ether	3744.69
m-xylene	1037.54
p-xylene	1131.74
chlorobenzene	2318.81
dimethyl carbonate	652.5
n-octane	133.35
formamide	786.64
cyclopentanone	6187.49
2-pentanone	4408.7
anisole	1441.39
cyclopentyl methyl ether	3984.87
gamma-butyrolactone	5286.71
1-methoxy-2-propanol	2968.53
pyridine	3798.12
3-pentanone	2612.55
furfural	3440.2
n-dodecane	85.72
diethylene glycol	1285.42
diisopropyl ether	1286.19
tert-amyl alcohol	3859.27
acetylacetone	3429.08
n-hexadecane	103.08
acetophenone	1340.56
methyl propionate	2380.63
isopentyl acetate	2754.34
trichloroethylene	8292.45
n-nonanol	838.52
cyclohexanol	3914.29
benzyl alcohol	1171.83
2-ethylhexanol	1512.74
isooctanol	759.21
dipropyl ether	1712.47
1,2-dichlorobenzene	1962.49
ethyl lactate	762.33
propylene carbonate	2818.93
n-methylformamide	1988.81
2-pentanol	3054.3
n-pentane	742.77
1-propoxy-2-propanol	2362.58
1-methoxy-2-propyl acetate	2137.18
2-(2-methoxypropoxy) propanol	1314.38
mesitylene	697.82
ε-caprolactone	4380.56
p-cymene	503.8
epichlorohydrin	5670.16
1,1,1-trichloroethane	4707.55
2-aminoethanol	1057.59
morpholine-4-carbaldehyde	2984.69
sulfolane	5806.15
2,2,4-trimethylpentane	294.66
2-methyltetrahydrofuran	6433.86
n-hexyl acetate	2345.71
isooctane	260.0
2-(2-butoxyethoxy)ethanol	1898.21
sec-butyl acetate	1594.0
tert-butyl acetate	2470.51
decalin	469.72
glycerin	805.66
diglyme	2988.02
acrylic acid	1566.75
isopropyl myristate	757.96
n-butyric acid	4258.17
acetyl acetate	1753.88
di(2-ethylhexyl) phthalate	616.91
ethyl propionate	1786.01
nitromethane	4170.17
1,2-diethoxyethane	2372.43
benzonitrile	1878.5
trioctyl phosphate	467.58
1-bromopropane	3735.88
gamma-valerolactone	5746.77
n-decanol	575.7
triethyl phosphate	560.34
4-methyl-2-pentanol	1408.05
propionitrile	2605.21
vinylene carbonate	2187.54
1,1,2-trichlorotrifluoroethane	3238.21
DMS	1239.09
cumene	583.81
2-octanol	741.05
2-hexanone	2910.27
octyl acetate	982.91
limonene	990.76
1,2-dimethoxyethane	3581.5
ethyl orthosilicate	566.13
tributyl phosphate	652.73
diacetone alcohol	2480.51
N,N-dimethylaniline	960.7
acrylonitrile	2462.24
aniline	1812.76
1,3-propanediol	1862.79
bromobenzene	2593.0
dibromomethane	4909.56
1,1,2,2-tetrachloroethane	7131.31
2-methyl-cyclohexyl acetate	1270.11
tetrabutyl urea	829.74
diisobutyl methanol	817.05
2-phenylethanol	1260.61
styrene	1169.83
dioctyl adipate	991.51
dimethyl sulfate	1040.13
ethyl butyrate	1688.61
methyl lactate	951.52
butyl lactate	1142.44
diethyl carbonate	950.3
propanediol butyl ether	1458.01
triethyl orthoformate	968.33
p-tert-butyltoluene	482.47
methyl 4-tert-butylbenzoate	1042.6
morpholine	5907.99
tert-butylamine	3061.65
n-dodecanol	430.59
dimethoxymethane	2405.02
ethylene carbonate	1929.79
cyrene	986.35
2-ethoxyethyl acetate	1587.57
2-ethylhexyl acetate	1946.74
1,2,4-trichlorobenzene	2238.98
4-methylpyridine	4130.36
dibutyl ether	1704.72
2,6-dimethyl-4-heptanol	817.05
DEF	3623.1
dimethyl isosorbide	1994.59
tetrachloroethylene	3791.5
eugenol	1007.71
triacetin	1456.44
span 80	1419.96
1,4-butanediol	664.96
1,1-dichloroethane	5640.83
2-methyl-1-pentanol	2202.39
methyl formate	1326.69
2-methyl-1-butanol	3040.45
n-decane	173.53
butyronitrile	3742.65
3,7-dimethyl-1-octanol	1176.87
1-chlorooctane	859.85
1-chlorotetradecane	287.58
n-nonane	188.66
undecane	117.17
tert-butylcyclohexane	423.47
cyclooctane	339.14
cyclopentanol	3542.9
tetrahydropyran	6777.33
tert-amyl methyl ether	2652.98
2,5,8-trioxanonane	1873.59
1-hexene	3087.47
2-isopropoxyethanol	1403.17
2,2,2-trifluoroethanol	632.18
methyl butyrate	2799.33

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