Molecular formula
C10H18O2

SMILES
CCCCCC1CC(C(=O)O1)C

Fragrance
Sweet	74.81%
Coconut	74.36%
Creamy	68.57%
Fatty	68.14%
Lactonic	65.97%
Fruity	60.91%
Green	59.98%
Waxy	57.44%
Floral	56.53%
Milky	55.72%

 

Flavor
Coconut	66.94%
Creamy	58.07%
Peach	57.28%
Sweet	56.54%
Waxy	52.76%
Fatty	50.74%
Oily	49.76%
Fruity	47.69%
Fresh	43.94%
Dairy	39.44%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
8.46 (weak base)

Molecular weight
170.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
252°C

Flash point

• 94.9 ˚C est.

• SCHEMBL3541711

3-Methyl-5-pentyloxolan-2-one is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where it can contribute fruity notes and may act as a fragrance fixative in certain formulations. It is commonly evaluated for aroma applications in flavor and consumer products. In household products such as cleaners and air fresheners, it can serve as a fragrance component to impart specific scents. In industrial manufacturing, the compound is used as an intermediate for the synthesis of specialty chemicals and fragrance-related materials. In polymers and plastics, it may be employed as a lactone-based monomer or modifier for polyester-type materials or other lactone-containing polymers.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	10382.6
methanol	12756.94
isopropanol	8857.88
water	1.25
ethyl acetate	9173.78
n-propanol	6785.11
acetone	10337.09
n-butanol	6086.51
acetonitrile	8752.31
DMF	6023.23
toluene	2016.48
isobutanol	5756.0
1,4-dioxane	7325.63
methyl acetate	5451.36
THF	8360.23
2-butanone	6598.21
n-pentanol	3842.83
sec-butanol	5895.52
n-hexane	529.71
ethylene glycol	805.32
NMP	3327.47
cyclohexane	630.02
DMSO	5006.44
n-butyl acetate	6190.9
n-octanol	1338.85
chloroform	12649.27
n-propyl acetate	4614.65
acetic acid	5600.28
dichloromethane	11233.89
cyclohexanone	6987.68
propylene glycol	1414.49
isopropyl acetate	6198.01
DMAc	3407.1
2-ethoxyethanol	3864.5
isopentanol	5876.07
n-heptane	159.0
ethyl formate	4736.89
1,2-dichloroethane	6480.83
n-hexanol	3656.0
2-methoxyethanol	6497.81
isobutyl acetate	2840.22
tetrachloromethane	1680.83
n-pentyl acetate	2743.53
transcutol	10964.12
n-heptanol	1347.52
ethylbenzene	1032.68
MIBK	3636.25
2-propoxyethanol	4958.03
tert-butanol	8017.43
MTBE	8318.85
2-butoxyethanol	2432.48
propionic acid	3795.54
o-xylene	1025.21
formic acid	1558.47
diethyl ether	7243.34
m-xylene	1304.27
p-xylene	1438.87
chlorobenzene	3440.26
dimethyl carbonate	1270.68
n-octane	89.38
formamide	2206.43
cyclopentanone	6130.11
2-pentanone	6314.25
anisole	2314.34
cyclopentyl methyl ether	3903.83
gamma-butyrolactone	6737.03
1-methoxy-2-propanol	4887.74
pyridine	5954.54
3-pentanone	3270.11
furfural	4918.7
n-dodecane	82.73
diethylene glycol	2594.57
diisopropyl ether	1892.66
tert-amyl alcohol	5269.65
acetylacetone	5345.3
n-hexadecane	99.91
acetophenone	1926.86
methyl propionate	4017.3
isopentyl acetate	5133.84
trichloroethylene	10970.45
n-nonanol	1071.98
cyclohexanol	3981.5
benzyl alcohol	1893.15
2-ethylhexanol	1806.92
isooctanol	1109.23
dipropyl ether	1973.86
1,2-dichlorobenzene	2593.3
ethyl lactate	1095.96
propylene carbonate	4129.1
n-methylformamide	3790.19
2-pentanol	4357.56
n-pentane	413.54
1-propoxy-2-propanol	3434.54
1-methoxy-2-propyl acetate	3775.1
2-(2-methoxypropoxy) propanol	1688.16
mesitylene	795.87
ε-caprolactone	6129.55
p-cymene	534.84
epichlorohydrin	7600.39
1,1,1-trichloroethane	6705.95
2-aminoethanol	2327.89
morpholine-4-carbaldehyde	4192.71
sulfolane	4654.47
2,2,4-trimethylpentane	240.14
2-methyltetrahydrofuran	6988.21
n-hexyl acetate	3426.86
isooctane	227.58
2-(2-butoxyethoxy)ethanol	2636.45
sec-butyl acetate	3275.55
tert-butyl acetate	4446.94
decalin	319.82
glycerin	1381.48
diglyme	4471.49
acrylic acid	2593.97
isopropyl myristate	902.16
n-butyric acid	8209.77
acetyl acetate	3971.44
di(2-ethylhexyl) phthalate	755.38
ethyl propionate	3252.02
nitromethane	7560.43
1,2-diethoxyethane	4763.16
benzonitrile	3418.23
trioctyl phosphate	533.32
1-bromopropane	4574.85
gamma-valerolactone	7316.32
n-decanol	729.89
triethyl phosphate	651.09
4-methyl-2-pentanol	2150.83
propionitrile	5714.35
vinylene carbonate	3754.72
1,1,2-trichlorotrifluoroethane	3894.22
DMS	1926.39
cumene	686.23
2-octanol	1010.35
2-hexanone	3862.32
octyl acetate	1147.01
limonene	886.94
1,2-dimethoxyethane	6592.13
ethyl orthosilicate	718.38
tributyl phosphate	783.6
diacetone alcohol	3330.76
N,N-dimethylaniline	1196.61
acrylonitrile	5529.49
aniline	2717.81
1,3-propanediol	3576.4
bromobenzene	3837.12
dibromomethane	7510.2
1,1,2,2-tetrachloroethane	8221.21
2-methyl-cyclohexyl acetate	1441.18
tetrabutyl urea	836.72
diisobutyl methanol	907.39
2-phenylethanol	2005.21
styrene	1588.03
dioctyl adipate	1102.73
dimethyl sulfate	1361.24
ethyl butyrate	2715.54
methyl lactate	1359.72
butyl lactate	1563.8
diethyl carbonate	1504.65
propanediol butyl ether	2028.27
triethyl orthoformate	1419.27
p-tert-butyltoluene	529.31
methyl 4-tert-butylbenzoate	1330.16
morpholine	8968.97
tert-butylamine	5013.13
n-dodecanol	501.24
dimethoxymethane	4058.76
ethylene carbonate	3576.57
cyrene	1082.87
2-ethoxyethyl acetate	3118.21
2-ethylhexyl acetate	3247.44
1,2,4-trichlorobenzene	2772.98
4-methylpyridine	6536.33
dibutyl ether	2090.12
2,6-dimethyl-4-heptanol	907.39
DEF	5305.24
dimethyl isosorbide	2326.53
tetrachloroethylene	5122.52
eugenol	1363.42
triacetin	1890.46
span 80	1521.75
1,4-butanediol	1401.73
1,1-dichloroethane	9132.1
2-methyl-1-pentanol	3533.36
methyl formate	2755.68
2-methyl-1-butanol	4795.17
n-decane	154.16
butyronitrile	7510.93
3,7-dimethyl-1-octanol	1465.51
1-chlorooctane	863.41
1-chlorotetradecane	280.95
n-nonane	150.54
undecane	108.44
tert-butylcyclohexane	323.6
cyclooctane	164.13
cyclopentanol	3628.63
tetrahydropyran	8124.68
tert-amyl methyl ether	3784.01
2,5,8-trioxanonane	2474.48
1-hexene	2502.51
2-isopropoxyethanol	2923.07
2,2,2-trifluoroethanol	1360.32
methyl butyrate	5014.11

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