Molecular formula
C9H16O2

SMILES
CC(C)CCC1CCC(=O)O1

Fragrance
Lactonic	62.88%
Coconut	62.77%
Sweet	58.39%
Creamy	57.86%
Fatty	49.0%
Coumarinic	47.44%
Herbal	47.3%
Milky	43.81%
Oily	43.06%
Spicy	41.2%

 

Flavor
Coconut	59.58%
Sweet	54.9%
Peach	47.26%
Creamy	46.69%
Fatty	41.31%
Oily	41.19%
Dairy	38.1%
Tonka	37.74%
Fruity	34.81%
Waxy	34.64%

 

Odor impact est.
Medium

XLogP3-AA
1.9

pKa est.
8.33 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 88.62 ˚C est.

5-(3-Methylbutyl)oxolan-2-one is a gamma-lactone derivative with a fruity odor, commonly used as an odorant in fragrance applications: (1) in perfumes and fragrance formulations for cosmetics and personal care; (2) as a flavor/aroma ingredient in foods and beverages; (3) as a fragrance component in household and cleaning products; (4) as an intermediate or building block in the synthesis of fragrance-related compounds and lactone derivatives for the chemical industry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1239.13
methanol	1605.02
isopropanol	908.61
water	1.62
ethyl acetate	556.9
n-propanol	836.56
acetone	1053.28
n-butanol	746.56
acetonitrile	648.84
DMF	907.02
toluene	320.05
isobutanol	620.79
1,4-dioxane	880.15
methyl acetate	558.25
THF	1224.17
2-butanone	749.21
n-pentanol	524.82
sec-butanol	703.54
n-hexane	78.47
ethylene glycol	275.94
NMP	797.55
cyclohexane	80.61
DMSO	1228.13
n-butyl acetate	535.55
n-octanol	263.61
chloroform	2137.05
n-propyl acetate	376.27
acetic acid	870.39
dichloromethane	1509.99
cyclohexanone	852.47
propylene glycol	485.53
isopropyl acetate	400.25
DMAc	750.77
2-ethoxyethanol	556.84
isopentanol	709.8
n-heptane	27.8
ethyl formate	406.36
1,2-dichloroethane	793.28
n-hexanol	578.04
2-methoxyethanol	942.27
isobutyl acetate	284.07
tetrachloromethane	269.94
n-pentyl acetate	292.92
transcutol	2015.66
n-heptanol	238.16
ethylbenzene	198.06
MIBK	396.98
2-propoxyethanol	752.46
tert-butanol	894.81
MTBE	623.55
2-butoxyethanol	419.15
propionic acid	698.06
o-xylene	210.2
formic acid	320.4
diethyl ether	459.1
m-xylene	240.27
p-xylene	270.13
chlorobenzene	531.27
dimethyl carbonate	181.25
n-octane	13.37
formamide	371.19
cyclopentanone	983.01
2-pentanone	600.7
anisole	443.11
cyclopentyl methyl ether	512.09
gamma-butyrolactone	997.08
1-methoxy-2-propanol	780.61
pyridine	816.99
3-pentanone	353.54
furfural	991.42
n-dodecane	13.14
diethylene glycol	572.96
diisopropyl ether	151.59
tert-amyl alcohol	715.49
acetylacetone	602.1
n-hexadecane	15.27
acetophenone	409.95
methyl propionate	395.91
isopentyl acetate	496.36
trichloroethylene	1614.1
n-nonanol	210.28
cyclohexanol	548.78
benzyl alcohol	407.99
2-ethylhexanol	304.73
isooctanol	195.84
dipropyl ether	222.37
1,2-dichlorobenzene	468.94
ethyl lactate	229.13
propylene carbonate	635.93
n-methylformamide	565.64
2-pentanol	479.04
n-pentane	54.75
1-propoxy-2-propanol	554.88
1-methoxy-2-propyl acetate	474.16
2-(2-methoxypropoxy) propanol	451.37
mesitylene	146.97
ε-caprolactone	730.22
p-cymene	123.25
epichlorohydrin	1048.28
1,1,1-trichloroethane	863.31
2-aminoethanol	577.89
morpholine-4-carbaldehyde	808.8
sulfolane	1104.94
2,2,4-trimethylpentane	38.74
2-methyltetrahydrofuran	947.06
n-hexyl acetate	478.21
isooctane	32.51
2-(2-butoxyethoxy)ethanol	639.2
sec-butyl acetate	292.59
tert-butyl acetate	436.05
decalin	53.49
glycerin	506.94
diglyme	940.17
acrylic acid	595.2
isopropyl myristate	151.75
n-butyric acid	827.76
acetyl acetate	376.17
di(2-ethylhexyl) phthalate	191.07
ethyl propionate	311.86
nitromethane	953.79
1,2-diethoxyethane	497.27
benzonitrile	551.56
trioctyl phosphate	125.8
1-bromopropane	517.92
gamma-valerolactone	1084.73
n-decanol	146.91
triethyl phosphate	142.89
4-methyl-2-pentanol	299.54
propionitrile	533.7
vinylene carbonate	586.15
1,1,2-trichlorotrifluoroethane	886.45
DMS	339.26
cumene	148.59
2-octanol	166.99
2-hexanone	451.76
octyl acetate	204.02
limonene	169.85
1,2-dimethoxyethane	795.26
ethyl orthosilicate	142.33
tributyl phosphate	176.04
diacetone alcohol	544.03
N,N-dimethylaniline	282.53
acrylonitrile	634.39
aniline	501.5
1,3-propanediol	658.94
bromobenzene	548.21
dibromomethane	1037.63
1,1,2,2-tetrachloroethane	1367.67
2-methyl-cyclohexyl acetate	266.49
tetrabutyl urea	194.43
diisobutyl methanol	161.72
2-phenylethanol	401.82
styrene	262.01
dioctyl adipate	237.34
dimethyl sulfate	298.74
ethyl butyrate	305.3
methyl lactate	305.7
butyl lactate	311.24
diethyl carbonate	210.08
propanediol butyl ether	567.08
triethyl orthoformate	203.77
p-tert-butyltoluene	120.46
methyl 4-tert-butylbenzoate	331.38
morpholine	1083.17
tert-butylamine	559.23
n-dodecanol	105.46
dimethoxymethane	455.18
ethylene carbonate	457.6
cyrene	340.33
2-ethoxyethyl acetate	399.99
2-ethylhexyl acetate	359.45
1,2,4-trichlorobenzene	565.56
4-methylpyridine	825.13
dibutyl ether	240.6
2,6-dimethyl-4-heptanol	161.72
DEF	501.2
dimethyl isosorbide	541.24
tetrachloroethylene	828.41
eugenol	363.89
triacetin	434.51
span 80	409.82
1,4-butanediol	309.53
1,1-dichloroethane	1001.35
2-methyl-1-pentanol	499.62
methyl formate	390.99
2-methyl-1-butanol	605.79
n-decane	22.34
butyronitrile	622.81
3,7-dimethyl-1-octanol	302.88
1-chlorooctane	138.86
1-chlorotetradecane	48.23
n-nonane	21.19
undecane	16.47
tert-butylcyclohexane	55.16
cyclooctane	25.74
cyclopentanol	626.08
tetrahydropyran	853.89
tert-amyl methyl ether	387.61
2,5,8-trioxanonane	631.98
1-hexene	318.98
2-isopropoxyethanol	435.15
2,2,2-trifluoroethanol	258.71
methyl butyrate	448.5

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