Molecular formula
C9H18O3

SMILES
CCC(C)C(=O)OCCCCO

Fragrance
Fruity	90.97%
Oily	37.36%
Ethereal	34.99%
Buttery	34.39%
Tropical	32.61%
Winey	31.74%
Sweet	31.14%
Pineapple	30.53%
Fatty	29.93%
Fermented	27.69%

 

Flavor
Fruity	85.13%
Sweet	64.75%
Green	52.68%
Pineapple	46.45%
Tropical	45.32%
Apple	43.96%
Fruit	42.82%
Berry	41.5%
Waxy	40.1%
Wine	34.71%

 

Odor impact est.
Medium

XLogP3-AA
1.5

pKa est.
8.69 (weak base)

Molecular weight
174.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
248°C

Flash point

• 107.14 ˚C est.

• SCHEMBL2532470

4-Hydroxybutyl 2-methylbutanoate is commonly evaluated as a fragrance ingredient and odorant in perfumery and flavor applications, reflecting isovalerate-type scent notes. It also serves as a useful hydroxy ester intermediate in fragrance chemistry and related synthesis. Because it carries a free hydroxyl group on the 4-hydroxybutyl moiety, it can act as a reactive polyol building block in polyurethane and polyester resin formulations, enabling chain extension or crosslinking. In coatings and inks, it may function as a reactive diluent or functional additive that improves flexibility and cure characteristics. Depending on regional regulations, it may be used in cosmetics or personal care formulations as a fragrance ingredient or functional additive, subject to formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3129.44
methanol	4755.93
isopropanol	2297.83
water	7.99
ethyl acetate	1028.31
n-propanol	2059.91
acetone	1811.05
n-butanol	1687.49
acetonitrile	1598.96
DMF	1487.22
toluene	212.41
isobutanol	1577.58
1,4-dioxane	1993.76
methyl acetate	997.72
THF	1583.4
2-butanone	1117.19
n-pentanol	1307.11
sec-butanol	1737.78
n-hexane	86.64
ethylene glycol	450.41
NMP	1022.22
cyclohexane	141.93
DMSO	2007.45
n-butyl acetate	851.43
n-octanol	408.8
chloroform	2726.43
n-propyl acetate	863.12
acetic acid	3346.07
dichloromethane	2119.58
cyclohexanone	1431.34
propylene glycol	641.19
isopropyl acetate	646.89
DMAc	1044.14
2-ethoxyethanol	1507.59
isopentanol	1427.37
n-heptane	33.23
ethyl formate	992.1
1,2-dichloroethane	1264.49
n-hexanol	841.89
2-methoxyethanol	2157.25
isobutyl acetate	510.38
tetrachloromethane	342.23
n-pentyl acetate	497.33
transcutol	2679.16
n-heptanol	392.24
ethylbenzene	196.1
MIBK	515.36
2-propoxyethanol	1072.43
tert-butanol	2712.65
MTBE	1341.86
2-butoxyethanol	678.15
propionic acid	1425.96
o-xylene	201.06
formic acid	1215.07
diethyl ether	922.24
m-xylene	174.59
p-xylene	301.55
chlorobenzene	568.89
dimethyl carbonate	182.87
n-octane	23.21
formamide	1273.11
cyclopentanone	1258.36
2-pentanone	820.62
anisole	480.12
cyclopentyl methyl ether	644.02
gamma-butyrolactone	1575.53
1-methoxy-2-propanol	1210.27
pyridine	1221.49
3-pentanone	470.11
furfural	1411.49
n-dodecane	21.91
diethylene glycol	835.19
diisopropyl ether	228.36
tert-amyl alcohol	2091.94
acetylacetone	807.17
n-hexadecane	24.93
acetophenone	497.4
methyl propionate	531.97
isopentyl acetate	739.6
trichloroethylene	2310.97
n-nonanol	321.14
cyclohexanol	1187.75
benzyl alcohol	584.12
2-ethylhexanol	438.72
isooctanol	333.55
dipropyl ether	296.16
1,2-dichlorobenzene	522.15
ethyl lactate	311.62
propylene carbonate	866.56
n-methylformamide	1202.57
2-pentanol	1045.7
n-pentane	68.32
1-propoxy-2-propanol	712.45
1-methoxy-2-propyl acetate	504.25
2-(2-methoxypropoxy) propanol	479.75
mesitylene	128.25
ε-caprolactone	1264.93
p-cymene	127.3
epichlorohydrin	1591.13
1,1,1-trichloroethane	1132.67
2-aminoethanol	1059.98
morpholine-4-carbaldehyde	1221.56
sulfolane	1508.86
2,2,4-trimethylpentane	61.53
2-methyltetrahydrofuran	1272.24
n-hexyl acetate	642.98
isooctane	41.64
2-(2-butoxyethoxy)ethanol	758.3
sec-butyl acetate	491.41
tert-butyl acetate	628.46
decalin	68.75
glycerin	740.26
diglyme	1350.05
acrylic acid	1161.65
isopropyl myristate	195.28
n-butyric acid	2069.34
acetyl acetate	638.71
di(2-ethylhexyl) phthalate	216.72
ethyl propionate	498.23
nitromethane	3009.04
1,2-diethoxyethane	737.64
benzonitrile	742.7
trioctyl phosphate	164.24
1-bromopropane	707.44
gamma-valerolactone	1680.77
n-decanol	211.28
triethyl phosphate	197.38
4-methyl-2-pentanol	516.99
propionitrile	1071.58
vinylene carbonate	851.34
1,1,2-trichlorotrifluoroethane	1370.62
DMS	346.59
cumene	156.48
2-octanol	296.38
2-hexanone	789.13
octyl acetate	268.01
limonene	195.87
1,2-dimethoxyethane	1988.03
ethyl orthosilicate	203.67
tributyl phosphate	218.49
diacetone alcohol	747.49
N,N-dimethylaniline	315.03
acrylonitrile	1225.32
aniline	526.65
1,3-propanediol	1608.64
bromobenzene	514.85
dibromomethane	1393.28
1,1,2,2-tetrachloroethane	2058.02
2-methyl-cyclohexyl acetate	364.66
tetrabutyl urea	243.45
diisobutyl methanol	235.06
2-phenylethanol	440.66
styrene	272.94
dioctyl adipate	293.81
dimethyl sulfate	324.33
ethyl butyrate	468.6
methyl lactate	336.66
butyl lactate	409.27
diethyl carbonate	310.91
propanediol butyl ether	679.51
triethyl orthoformate	315.26
p-tert-butyltoluene	119.85
methyl 4-tert-butylbenzoate	387.34
morpholine	2279.09
tert-butylamine	1537.59
n-dodecanol	151.65
dimethoxymethane	658.78
ethylene carbonate	750.89
cyrene	445.38
2-ethoxyethyl acetate	551.44
2-ethylhexyl acetate	482.19
1,2,4-trichlorobenzene	572.71
4-methylpyridine	1067.51
dibutyl ether	375.85
2,6-dimethyl-4-heptanol	235.06
DEF	887.3
dimethyl isosorbide	637.55
tetrachloroethylene	1503.01
eugenol	424.57
triacetin	476.1
span 80	476.81
1,4-butanediol	744.45
1,1-dichloroethane	1457.98
2-methyl-1-pentanol	1108.88
methyl formate	844.26
2-methyl-1-butanol	1319.38
n-decane	39.15
butyronitrile	1254.73
3,7-dimethyl-1-octanol	380.11
1-chlorooctane	192.63
1-chlorotetradecane	66.64
n-nonane	37.63
undecane	27.56
tert-butylcyclohexane	70.36
cyclooctane	30.45
cyclopentanol	1122.97
tetrahydropyran	1610.31
tert-amyl methyl ether	758.16
2,5,8-trioxanonane	793.61
1-hexene	402.71
2-isopropoxyethanol	924.03
2,2,2-trifluoroethanol	773.88
methyl butyrate	910.91

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