Molecular formula
C13H24O2

SMILES
CCCCCCCC=COC(=O)CCC

Fragrance
Fruity	92.92%
Green	83.56%
Waxy	66.2%
Tropical	61.15%
Apple	52.72%
Pear	52.02%
Pineapple	51.56%
Fatty	48.43%
Melon	46.01%
Winey	32.05%

 

Flavor
Fruity	67.8%
Waxy	65.75%
Green	54.58%
Oily	40.22%
Pear	40.07%
Fatty	37.6%
Tropical	37.39%
Sweet	37.07%
Apple	34.78%
Soapy	34.3%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
7.66 (neutral)

Molecular weight
212.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 115.36 ˚C est.

Non-1-enyl butanoate is used in real-world applications as an odorant and fragrance ingredient in perfumery and cosmetics, serving as an odorant or fragrance component; it may also function as an intermediate in the synthesis of other aroma compounds for the fragrance industry; in household products and cleaning formulations, this ester can contribute a light scent as part of the fragrance system; in the flavor sector it can be evaluated as a flavor precursor for food formulation; and in industrial manufacturing it can act as an intermediate for preparing aroma-related compounds, subject to formulation constraints and regulatory requirements.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6631.58
methanol	6339.23
isopropanol	6458.73
water	0.04
ethyl acetate	7152.88
n-propanol	5633.26
acetone	13587.3
n-butanol	5202.56
acetonitrile	5808.89
DMF	7872.72
toluene	2708.43
isobutanol	4602.22
1,4-dioxane	6007.09
methyl acetate	4536.08
THF	10285.12
2-butanone	8356.52
n-pentanol	3702.29
sec-butanol	5662.96
n-hexane	2031.07
ethylene glycol	258.38
NMP	5318.56
cyclohexane	2346.61
DMSO	8462.43
n-butyl acetate	5372.64
n-octanol	1225.93
chloroform	8971.57
n-propyl acetate	4848.64
acetic acid	3267.38
dichloromethane	9871.01
cyclohexanone	10926.69
propylene glycol	718.28
isopropyl acetate	4367.93
DMAc	4363.59
2-ethoxyethanol	2907.41
isopentanol	4650.7
n-heptane	524.96
ethyl formate	2860.53
1,2-dichloroethane	8418.46
n-hexanol	3124.94
2-methoxyethanol	4746.35
isobutyl acetate	2422.02
tetrachloromethane	1341.68
n-pentyl acetate	2784.75
transcutol	8962.15
n-heptanol	1106.8
ethylbenzene	1425.36
MIBK	3631.94
2-propoxyethanol	3451.66
tert-butanol	6321.0
MTBE	7750.87
2-butoxyethanol	1813.59
propionic acid	2723.26
o-xylene	1292.38
formic acid	428.0
diethyl ether	8476.94
m-xylene	1504.87
p-xylene	1744.64
chlorobenzene	3223.05
dimethyl carbonate	900.99
n-octane	187.0
formamide	872.81
cyclopentanone	8604.41
2-pentanone	8315.99
anisole	2146.72
cyclopentyl methyl ether	6429.26
gamma-butyrolactone	6833.17
1-methoxy-2-propanol	3899.11
pyridine	6810.35
3-pentanone	4488.11
furfural	4056.18
n-dodecane	104.11
diethylene glycol	1435.0
diisopropyl ether	2125.67
tert-amyl alcohol	5347.68
acetylacetone	5127.48
n-hexadecane	128.44
acetophenone	1980.57
methyl propionate	4114.16
isopentyl acetate	4184.33
trichloroethylene	11311.36
n-nonanol	1009.86
cyclohexanol	5284.3
benzyl alcohol	1614.03
2-ethylhexanol	1987.38
isooctanol	977.28
dipropyl ether	3132.22
1,2-dichlorobenzene	2543.44
ethyl lactate	1005.6
propylene carbonate	3339.69
n-methylformamide	3132.47
2-pentanol	4428.85
n-pentane	1117.41
1-propoxy-2-propanol	3024.74
1-methoxy-2-propyl acetate	3001.3
2-(2-methoxypropoxy) propanol	1469.76
mesitylene	937.47
ε-caprolactone	6583.57
p-cymene	656.72
epichlorohydrin	8020.41
1,1,1-trichloroethane	6755.66
2-aminoethanol	1131.33
morpholine-4-carbaldehyde	3969.08
sulfolane	7214.63
2,2,4-trimethylpentane	364.17
2-methyltetrahydrofuran	10053.08
n-hexyl acetate	3309.82
isooctane	303.42
2-(2-butoxyethoxy)ethanol	2250.52
sec-butyl acetate	2998.02
tert-butyl acetate	3763.73
decalin	664.35
glycerin	670.25
diglyme	4059.93
acrylic acid	1603.82
isopropyl myristate	984.1
n-butyric acid	5865.85
acetyl acetate	2575.4
di(2-ethylhexyl) phthalate	706.13
ethyl propionate	3544.32
nitromethane	5845.08
1,2-diethoxyethane	4487.45
benzonitrile	2720.19
trioctyl phosphate	544.56
1-bromopropane	6966.42
gamma-valerolactone	8058.83
n-decanol	654.68
triethyl phosphate	808.71
4-methyl-2-pentanol	1852.44
propionitrile	4453.37
vinylene carbonate	2593.83
1,1,2-trichlorotrifluoroethane	3731.66
DMS	1644.4
cumene	785.29
2-octanol	940.77
2-hexanone	5409.28
octyl acetate	1208.73
limonene	1382.48
1,2-dimethoxyethane	5955.09
ethyl orthosilicate	832.32
tributyl phosphate	790.72
diacetone alcohol	3070.86
N,N-dimethylaniline	1339.4
acrylonitrile	4190.52
aniline	2741.15
1,3-propanediol	2067.15
bromobenzene	3781.44
dibromomethane	7727.13
1,1,2,2-tetrachloroethane	9048.02
2-methyl-cyclohexyl acetate	1735.17
tetrabutyl urea	1038.88
diisobutyl methanol	989.4
2-phenylethanol	1540.65
styrene	2099.93
dioctyl adipate	1299.05
dimethyl sulfate	1299.0
ethyl butyrate	2947.0
methyl lactate	1096.73
butyl lactate	1555.01
diethyl carbonate	1447.94
propanediol butyl ether	1581.18
triethyl orthoformate	1522.51
p-tert-butyltoluene	614.91
methyl 4-tert-butylbenzoate	1311.84
morpholine	9157.83
tert-butylamine	4436.5
n-dodecanol	474.62
dimethoxymethane	4179.18
ethylene carbonate	2400.53
cyrene	1114.32
2-ethoxyethyl acetate	2677.48
2-ethylhexyl acetate	3103.96
1,2,4-trichlorobenzene	2738.91
4-methylpyridine	6841.31
dibutyl ether	3123.36
2,6-dimethyl-4-heptanol	989.4
DEF	6791.4
dimethyl isosorbide	2365.41
tetrachloroethylene	5333.4
eugenol	1221.7
triacetin	1911.74
span 80	1553.32
1,4-butanediol	785.02
1,1-dichloroethane	8872.9
2-methyl-1-pentanol	3199.79
methyl formate	1724.22
2-methyl-1-butanol	4330.13
n-decane	221.16
butyronitrile	6480.96
3,7-dimethyl-1-octanol	1332.76
1-chlorooctane	1171.99
1-chlorotetradecane	346.87
n-nonane	245.02
undecane	145.85
tert-butylcyclohexane	554.03
cyclooctane	500.36
cyclopentanol	4559.44
tetrahydropyran	12355.06
tert-amyl methyl ether	4506.21
2,5,8-trioxanonane	2390.2
1-hexene	5779.51
2-isopropoxyethanol	2324.08
2,2,2-trifluoroethanol	569.97
methyl butyrate	5441.92

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