Molecular formula
C8H15O2-

SMILES
CCCCC[C@H](C)C(=O)[O-]

Fragrance
Fatty	60.83%
Cheesy	55.18%
Oily	47.61%
Herbal	43.73%
Waxy	43.28%
Dairy	41.4%
Sour	38.4%
Fruity	38.16%
Green	38.11%
Creamy	34.65%

 

Flavor
Herbal	40.98%
Fruity	37.85%
Green	36.17%
Oily	31.32%
Waxy	28.72%
Cheese	27.19%
Fatty	26.78%
Mushroom	21.67%
Musty	21.31%
Cultured dairy	20.84%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
4.99 (weak acid)

Molecular weight
143.2 g/mol

Flash point

• 72.63 ˚C est.

(2S)-2-methylheptanoate is primarily used as a chiral fatty acid ester in organic synthesis, serving as an intermediate for the preparation of more complex esters and fine chemicals; in perfumery and flavors, it can act as a fragrance constituent contributing fruity or green notes and as a potential aroma compound for certain flavor formulations; in cosmetics and personal care, it is employed as a fragrance component and a solvent and carrier in formulations; in industrial manufacturing, it can function as an intermediate and processing aid for specialty chemicals; in polymer and coatings applications, it may serve as a plasticizer or processing additive to modulate flexibility and cure characteristics; and as a chiral building block for pharmaceutical and agrochemical syntheses, enabling enantioselective routes.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2419.02
methanol	3288.36
isopropanol	1740.76
water	1.58
ethyl acetate	1586.28
n-propanol	1694.48
acetone	2874.69
n-butanol	1503.52
acetonitrile	1524.62
DMF	3098.22
toluene	532.47
isobutanol	1266.48
1,4-dioxane	1600.22
methyl acetate	1195.74
THF	2556.52
2-butanone	1874.27
n-pentanol	1091.31
sec-butanol	1455.83
n-hexane	266.43
ethylene glycol	443.11
NMP	2873.98
cyclohexane	220.6
DMSO	4025.95
n-butyl acetate	1655.2
n-octanol	525.15
chloroform	2247.38
n-propyl acetate	1160.93
acetic acid	1778.71
dichloromethane	2311.14
cyclohexanone	2733.93
propylene glycol	614.1
isopropyl acetate	1007.42
DMAc	1582.32
2-ethoxyethanol	1197.11
isopentanol	1477.93
n-heptane	75.82
ethyl formate	1089.44
1,2-dichloroethane	2003.23
n-hexanol	1187.21
2-methoxyethanol	2157.36
isobutyl acetate	660.71
tetrachloromethane	463.85
n-pentyl acetate	887.76
transcutol	5249.82
n-heptanol	496.73
ethylbenzene	412.01
MIBK	1054.72
2-propoxyethanol	1536.29
tert-butanol	2010.09
MTBE	1364.53
2-butoxyethanol	953.78
propionic acid	1454.73
o-xylene	432.19
formic acid	850.1
diethyl ether	1161.94
m-xylene	467.96
p-xylene	513.81
chlorobenzene	1149.27
dimethyl carbonate	375.65
n-octane	39.32
formamide	1463.39
cyclopentanone	3026.26
2-pentanone	1780.8
anisole	849.48
cyclopentyl methyl ether	1530.21
gamma-butyrolactone	2990.57
1-methoxy-2-propanol	1604.83
pyridine	1757.86
3-pentanone	965.4
furfural	2495.41
n-dodecane	23.97
diethylene glycol	999.87
diisopropyl ether	436.67
tert-amyl alcohol	1713.97
acetylacetone	1604.02
n-hexadecane	28.52
acetophenone	881.3
methyl propionate	1102.13
isopentyl acetate	1409.55
trichloroethylene	3559.33
n-nonanol	426.01
cyclohexanol	1339.37
benzyl alcohol	780.36
2-ethylhexanol	726.93
isooctanol	445.6
dipropyl ether	565.52
1,2-dichlorobenzene	1154.39
ethyl lactate	429.3
propylene carbonate	1593.15
n-methylformamide	2074.89
2-pentanol	1060.78
n-pentane	149.6
1-propoxy-2-propanol	1226.45
1-methoxy-2-propyl acetate	1218.51
2-(2-methoxypropoxy) propanol	839.2
mesitylene	319.29
ε-caprolactone	2179.32
p-cymene	254.85
epichlorohydrin	2759.58
1,1,1-trichloroethane	1694.7
2-aminoethanol	1014.68
morpholine-4-carbaldehyde	2150.6
sulfolane	3946.73
2,2,4-trimethylpentane	95.38
2-methyltetrahydrofuran	2457.92
n-hexyl acetate	1199.32
isooctane	81.76
2-(2-butoxyethoxy)ethanol	1380.94
sec-butyl acetate	763.12
tert-butyl acetate	1153.05
decalin	147.97
glycerin	706.91
diglyme	2155.12
acrylic acid	1191.76
isopropyl myristate	331.68
n-butyric acid	1992.86
acetyl acetate	773.29
di(2-ethylhexyl) phthalate	355.63
ethyl propionate	894.9
nitromethane	3024.8
1,2-diethoxyethane	1273.85
benzonitrile	1174.49
trioctyl phosphate	254.14
1-bromopropane	997.23
gamma-valerolactone	3043.82
n-decanol	289.04
triethyl phosphate	304.45
4-methyl-2-pentanol	601.17
propionitrile	1153.69
vinylene carbonate	1344.24
1,1,2-trichlorotrifluoroethane	1847.34
DMS	769.57
cumene	287.64
2-octanol	396.12
2-hexanone	1305.88
octyl acetate	458.08
limonene	416.9
1,2-dimethoxyethane	1670.14
ethyl orthosilicate	313.11
tributyl phosphate	384.81
diacetone alcohol	1426.57
N,N-dimethylaniline	549.6
acrylonitrile	1519.6
aniline	978.83
1,3-propanediol	1305.37
bromobenzene	1095.58
dibromomethane	1630.73
1,1,2,2-tetrachloroethane	2911.27
2-methyl-cyclohexyl acetate	664.61
tetrabutyl urea	439.19
diisobutyl methanol	387.2
2-phenylethanol	803.41
styrene	537.79
dioctyl adipate	527.09
dimethyl sulfate	747.81
ethyl butyrate	866.4
methyl lactate	568.99
butyl lactate	777.75
diethyl carbonate	479.51
propanediol butyl ether	1165.39
triethyl orthoformate	502.42
p-tert-butyltoluene	243.23
methyl 4-tert-butylbenzoate	679.33
morpholine	2317.68
tert-butylamine	1270.42
n-dodecanol	197.68
dimethoxymethane	1209.26
ethylene carbonate	1076.27
cyrene	693.9
2-ethoxyethyl acetate	1153.72
2-ethylhexyl acetate	1060.85
1,2,4-trichlorobenzene	1251.12
4-methylpyridine	2052.8
dibutyl ether	614.58
2,6-dimethyl-4-heptanol	387.2
DEF	1779.08
dimethyl isosorbide	1366.8
tetrachloroethylene	1919.66
eugenol	745.67
triacetin	872.14
span 80	801.16
1,4-butanediol	555.13
1,1-dichloroethane	1896.65
2-methyl-1-pentanol	1154.84
methyl formate	1164.51
2-methyl-1-butanol	1342.52
n-decane	47.96
butyronitrile	1356.86
3,7-dimethyl-1-octanol	609.11
1-chlorooctane	317.3
1-chlorotetradecane	94.03
n-nonane	50.27
undecane	32.24
tert-butylcyclohexane	143.14
cyclooctane	66.76
cyclopentanol	1521.01
tetrahydropyran	1918.01
tert-amyl methyl ether	995.6
2,5,8-trioxanonane	1284.95
1-hexene	810.91
2-isopropoxyethanol	911.99
2,2,2-trifluoroethanol	523.21
methyl butyrate	1356.57

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