Molecular formula
C10H20O2

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

Fragrance
Fatty	86.68%
Waxy	69.61%
Cheesy	64.33%
Dairy	60.02%
Milky	50.58%
Creamy	46.53%
Oily	45.58%
Sour	45.21%
Sweaty	42.82%
Citrus	37.21%

 

Flavor
Fatty	59.87%
Waxy	50.31%
Cheese	41.72%
Oily	40.27%
Fat	34.47%
Creamy	29.54%
Green	29.14%
Sour	28.05%
Rancid	27.99%
Cheesy	27.38%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
8.25 (weak base)

Molecular weight
172.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
261°C

Flash point

• 121.85 ˚C est.

• (S)-4-methylnonanoic acid
• SCHEMBL3117112

(S)-4-methylnonanoic acid is a chiral long-chain carboxylic acid that is commonly used as an intermediate for fragrance and flavor esters; through esterification it can form odorant and flavor compounds for use in perfumery and flavor applications; it also serves as a building block for specialty polymers and can act as a processing aid or plasticizer in polymer formulations; in cosmetics and personal care, it may be used as an intermediate to prepare fragrance-related derivatives for skin and hair products; in coatings and inks, it can function as a processing aid or plasticizer for resins and coatings.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3430.29
methanol	3639.27
isopropanol	3013.08
water	0.28
ethyl acetate	975.1
n-propanol	2326.04
acetone	2149.62
n-butanol	1969.61
acetonitrile	587.03
DMF	1908.84
toluene	226.52
isobutanol	1637.64
1,4-dioxane	1393.12
methyl acetate	637.77
THF	3059.72
2-butanone	1247.51
n-pentanol	1471.5
sec-butanol	1728.24
n-hexane	249.46
ethylene glycol	389.9
NMP	901.88
cyclohexane	112.8
DMSO	2270.93
n-butyl acetate	1063.9
n-octanol	387.64
chloroform	696.2
n-propyl acetate	774.46
acetic acid	827.03
dichloromethane	560.85
cyclohexanone	1459.81
propylene glycol	856.24
isopropyl acetate	822.79
DMAc	833.93
2-ethoxyethanol	1287.29
isopentanol	1707.99
n-heptane	67.61
ethyl formate	500.11
1,2-dichloroethane	596.65
n-hexanol	1615.04
2-methoxyethanol	2235.95
isobutyl acetate	543.63
tetrachloromethane	138.48
n-pentyl acetate	419.01
transcutol	2499.33
n-heptanol	496.68
ethylbenzene	170.52
MIBK	833.28
2-propoxyethanol	1853.46
tert-butanol	3333.63
MTBE	1647.1
2-butoxyethanol	792.86
propionic acid	816.89
o-xylene	165.23
formic acid	252.53
diethyl ether	940.91
m-xylene	246.12
p-xylene	210.65
chlorobenzene	247.97
dimethyl carbonate	127.49
n-octane	24.49
formamide	325.01
cyclopentanone	1712.74
2-pentanone	1305.58
anisole	395.31
cyclopentyl methyl ether	1234.09
gamma-butyrolactone	1315.18
1-methoxy-2-propanol	1994.58
pyridine	673.2
3-pentanone	524.15
furfural	766.59
n-dodecane	16.04
diethylene glycol	995.98
diisopropyl ether	359.34
tert-amyl alcohol	1893.51
acetylacetone	902.58
n-hexadecane	18.62
acetophenone	317.47
methyl propionate	567.68
isopentyl acetate	967.18
trichloroethylene	817.58
n-nonanol	323.15
cyclohexanol	1135.38
benzyl alcohol	412.17
2-ethylhexanol	708.82
isooctanol	398.79
dipropyl ether	624.82
1,2-dichlorobenzene	220.9
ethyl lactate	272.99
propylene carbonate	594.16
n-methylformamide	897.08
2-pentanol	1300.27
n-pentane	101.59
1-propoxy-2-propanol	1422.81
1-methoxy-2-propyl acetate	824.4
2-(2-methoxypropoxy) propanol	496.14
mesitylene	157.03
ε-caprolactone	992.18
p-cymene	115.98
epichlorohydrin	1427.15
1,1,1-trichloroethane	500.4
2-aminoethanol	1201.97
morpholine-4-carbaldehyde	1010.53
sulfolane	1414.83
2,2,4-trimethylpentane	59.11
2-methyltetrahydrofuran	2005.8
n-hexyl acetate	586.6
isooctane	65.71
2-(2-butoxyethoxy)ethanol	832.12
sec-butyl acetate	540.83
tert-butyl acetate	880.71
decalin	72.2
glycerin	689.86
diglyme	1223.29
acrylic acid	434.54
isopropyl myristate	184.24
n-butyric acid	1527.24
acetyl acetate	325.1
di(2-ethylhexyl) phthalate	180.15
ethyl propionate	505.96
nitromethane	873.55
1,2-diethoxyethane	849.2
benzonitrile	392.26
trioctyl phosphate	152.28
1-bromopropane	455.27
gamma-valerolactone	1713.12
n-decanol	233.85
triethyl phosphate	152.9
4-methyl-2-pentanol	732.68
propionitrile	636.65
vinylene carbonate	402.92
1,1,2-trichlorotrifluoroethane	766.19
DMS	234.43
cumene	138.29
2-octanol	314.0
2-hexanone	991.79
octyl acetate	242.69
limonene	223.92
1,2-dimethoxyethane	1691.77
ethyl orthosilicate	177.02
tributyl phosphate	177.29
diacetone alcohol	1153.43
N,N-dimethylaniline	258.3
acrylonitrile	560.52
aniline	445.61
1,3-propanediol	1485.64
bromobenzene	227.55
dibromomethane	475.84
1,1,2,2-tetrachloroethane	808.08
2-methyl-cyclohexyl acetate	371.68
tetrabutyl urea	223.49
diisobutyl methanol	329.38
2-phenylethanol	512.79
styrene	192.4
dioctyl adipate	249.46
dimethyl sulfate	211.71
ethyl butyrate	541.67
methyl lactate	344.17
butyl lactate	364.42
diethyl carbonate	232.35
propanediol butyl ether	744.67
triethyl orthoformate	324.86
p-tert-butyltoluene	127.55
methyl 4-tert-butylbenzoate	316.73
morpholine	2229.34
tert-butylamine	1724.54
n-dodecanol	162.2
dimethoxymethane	987.08
ethylene carbonate	389.49
cyrene	385.53
2-ethoxyethyl acetate	479.34
2-ethylhexyl acetate	639.55
1,2,4-trichlorobenzene	250.22
4-methylpyridine	783.63
dibutyl ether	390.04
2,6-dimethyl-4-heptanol	329.38
DEF	1003.45
dimethyl isosorbide	714.77
tetrachloroethylene	531.94
eugenol	348.06
triacetin	339.65
span 80	515.0
1,4-butanediol	622.67
1,1-dichloroethane	692.08
2-methyl-1-pentanol	1096.71
methyl formate	401.78
2-methyl-1-butanol	1301.01
n-decane	31.42
butyronitrile	973.83
3,7-dimethyl-1-octanol	440.28
1-chlorooctane	162.25
1-chlorotetradecane	50.86
n-nonane	31.22
undecane	21.82
tert-butylcyclohexane	92.39
cyclooctane	35.11
cyclopentanol	1420.39
tetrahydropyran	1844.76
tert-amyl methyl ether	873.9
2,5,8-trioxanonane	731.0
1-hexene	845.77
2-isopropoxyethanol	959.92
2,2,2-trifluoroethanol	159.27
methyl butyrate	812.53

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