Molecular formula
C8H16O2

SMILES
CCCCCC(C)C(=O)O

Safety labels

Fragrance
Fatty	81.63%
Cheesy	81.4%
Dairy	60.2%
Waxy	59.52%
Sour	59.44%
Oily	56.99%
Fruity	53.66%
Sweaty	50.37%
Green	50.26%
Creamy	47.99%

 

Flavor
Cheese	62.22%
Fatty	53.25%
Green	53.18%
Fruity	49.4%
Waxy	48.15%
Oily	45.95%
Sour	39.07%
Sweat	37.83%
Rancid	37.81%
Sweaty	35.33%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
8.08 (weak base)

Molecular weight
144.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Melting point expt.

• 15.00 °C. @ 760.00 mm Hg

Boiling point

• 140.00 °C. @ 30.00 mm Hg

Flash point

• 103.13 ˚C est.

Solubility expt.

• very slightly
• Very slightly soluble in water; soluble in oils
• soluble (in ethanol)

2-Methylheptanoic acid is a branched C8 fatty acid used primarily as a synthetic intermediate and fragrance-related raw material. In perfumery and flavor applications, it serves as a precursor for esters and contributes to fragrance profiles. In cosmetics and personal care, it may function as a fragrance ingredient or as a building block for ester-based formulations. In household products, it can be incorporated as a fragrance component or as part of fatty-acid-derived surfactant systems. In industrial manufacturing, it is used as an intermediate to prepare specialty chemicals and processing aids. In polymers/plastics, its esters or salts can act as plasticizers or lubricant additives. In surfactants, the corresponding salts may serve as surfactant precursors for detergents and cleaners. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2111.09
methanol	3044.73
isopropanol	1613.11
water	1.81
ethyl acetate	797.83
n-propanol	1455.99
acetone	1404.37
n-butanol	1292.65
acetonitrile	557.4
DMF	1630.26
toluene	171.89
isobutanol	1157.79
1,4-dioxane	1087.38
methyl acetate	543.71
THF	1945.18
2-butanone	874.54
n-pentanol	974.03
sec-butanol	1181.4
n-hexane	212.69
ethylene glycol	394.28
NMP	1597.77
cyclohexane	115.99
DMSO	2702.09
n-butyl acetate	1066.0
n-octanol	393.15
chloroform	830.6
n-propyl acetate	685.62
acetic acid	1159.68
dichloromethane	762.29
cyclohexanone	1478.92
propylene glycol	613.66
isopropyl acetate	621.28
DMAc	868.32
2-ethoxyethanol	960.31
isopentanol	1343.57
n-heptane	60.29
ethyl formate	562.92
1,2-dichloroethane	737.27
n-hexanol	1146.7
2-methoxyethanol	1695.53
isobutyl acetate	439.06
tetrachloromethane	205.21
n-pentyl acetate	504.04
transcutol	3093.09
n-heptanol	457.82
ethylbenzene	164.43
MIBK	693.15
2-propoxyethanol	1332.64
tert-butanol	2084.19
MTBE	1038.77
2-butoxyethanol	798.22
propionic acid	953.43
o-xylene	176.73
formic acid	553.98
diethyl ether	639.8
m-xylene	205.73
p-xylene	232.14
chlorobenzene	358.93
dimethyl carbonate	158.09
n-octane	26.58
formamide	755.34
cyclopentanone	1766.17
2-pentanone	966.28
anisole	373.76
cyclopentyl methyl ether	986.86
gamma-butyrolactone	1796.78
1-methoxy-2-propanol	1350.12
pyridine	735.98
3-pentanone	457.57
furfural	1200.98
n-dodecane	15.9
diethylene glycol	815.3
diisopropyl ether	289.32
tert-amyl alcohol	1568.23
acetylacetone	830.24
n-hexadecane	18.41
acetophenone	390.45
methyl propionate	523.09
isopentyl acetate	976.27
trichloroethylene	1186.79
n-nonanol	318.18
cyclohexanol	987.16
benzyl alcohol	423.88
2-ethylhexanol	648.13
isooctanol	405.71
dipropyl ether	426.56
1,2-dichlorobenzene	386.65
ethyl lactate	277.41
propylene carbonate	878.1
n-methylformamide	1126.53
2-pentanol	925.44
n-pentane	95.1
1-propoxy-2-propanol	1046.0
1-methoxy-2-propyl acetate	787.0
2-(2-methoxypropoxy) propanol	545.91
mesitylene	164.45
ε-caprolactone	1230.72
p-cymene	141.07
epichlorohydrin	1457.42
1,1,1-trichloroethane	610.15
2-aminoethanol	994.22
morpholine-4-carbaldehyde	1227.6
sulfolane	2258.29
2,2,4-trimethylpentane	71.16
2-methyltetrahydrofuran	1697.73
n-hexyl acetate	671.38
isooctane	65.64
2-(2-butoxyethoxy)ethanol	941.09
sec-butyl acetate	471.04
tert-butyl acetate	751.09
decalin	82.62
glycerin	650.81
diglyme	1342.08
acrylic acid	684.77
isopropyl myristate	199.57
n-butyric acid	1457.81
acetyl acetate	349.59
di(2-ethylhexyl) phthalate	226.65
ethyl propionate	471.71
nitromethane	1355.7
1,2-diethoxyethane	769.13
benzonitrile	494.91
trioctyl phosphate	182.87
1-bromopropane	392.89
gamma-valerolactone	1828.47
n-decanol	224.69
triethyl phosphate	178.81
4-methyl-2-pentanol	569.15
propionitrile	547.76
vinylene carbonate	657.02
1,1,2-trichlorotrifluoroethane	1050.41
DMS	334.71
cumene	148.33
2-octanol	316.97
2-hexanone	822.0
octyl acetate	273.23
limonene	251.55
1,2-dimethoxyethane	1253.19
ethyl orthosilicate	193.21
tributyl phosphate	244.27
diacetone alcohol	1032.31
N,N-dimethylaniline	295.24
acrylonitrile	596.15
aniline	444.58
1,3-propanediol	1207.15
bromobenzene	315.71
dibromomethane	555.85
1,1,2,2-tetrachloroethane	1178.91
2-methyl-cyclohexyl acetate	433.2
tetrabutyl urea	286.27
diisobutyl methanol	337.22
2-phenylethanol	502.82
styrene	192.74
dioctyl adipate	299.77
dimethyl sulfate	340.78
ethyl butyrate	532.78
methyl lactate	349.26
butyl lactate	482.71
diethyl carbonate	256.97
propanediol butyl ether	874.02
triethyl orthoformate	327.4
p-tert-butyltoluene	144.85
methyl 4-tert-butylbenzoate	400.87
morpholine	1669.79
tert-butylamine	1273.48
n-dodecanol	157.91
dimethoxymethane	687.49
ethylene carbonate	557.96
cyrene	468.53
2-ethoxyethyl acetate	602.13
2-ethylhexyl acetate	703.41
1,2,4-trichlorobenzene	444.05
4-methylpyridine	776.36
dibutyl ether	372.91
2,6-dimethyl-4-heptanol	337.22
DEF	948.6
dimethyl isosorbide	836.56
tetrachloroethylene	825.11
eugenol	444.3
triacetin	441.56
span 80	579.23
1,4-butanediol	530.8
1,1-dichloroethane	647.23
2-methyl-1-pentanol	966.86
methyl formate	594.88
2-methyl-1-butanol	1116.09
n-decane	30.48
butyronitrile	742.67
3,7-dimethyl-1-octanol	462.07
1-chlorooctane	183.26
1-chlorotetradecane	55.41
n-nonane	31.61
undecane	21.13
tert-butylcyclohexane	97.33
cyclooctane	38.59
cyclopentanol	1222.19
tetrahydropyran	1277.56
tert-amyl methyl ether	689.88
2,5,8-trioxanonane	800.31
1-hexene	544.05
2-isopropoxyethanol	761.43
2,2,2-trifluoroethanol	294.13
methyl butyrate	787.57

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