Molecular formula
C14H28O2

SMILES
CCCCCCCCOC(=O)CCC(C)C

Fragrance
Fruity	83.15%
Oily	72.25%
Herbal	62.46%
Winey	59.54%
Green	50.23%
Fatty	48.78%
Cognac	44.53%
Apple	42.55%
Floral	42.28%
Sweet	39.66%

 

Flavor
Fruity	60.91%
Waxy	54.8%
Green	52.22%
Oily	49.15%
Floral	45.02%
Soapy	38.55%
Sweet	38.4%
Tropical	35.3%
Herbal	35.17%
Apple	31.45%

 

Odor impact est.
Medium

XLogP3-AA
5.0

pKa est.
7.91 (neutral)

Molecular weight
228.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
272°C

Flash point

• 115.09 ˚C est.

• SWXFRHFHIPMTBL-UHFFFAOYSA-N
• Pentanoic acid, 4-methyl, octyl ester

Pentanoic acid, 4-methyl, octyl ester is primarily used as a plasticizer for polymers and coatings, enhancing flexibility and processability in PVC, resins, and adhesives; as a solvent or co-solvent in coatings, inks, and cleaning formulations; as a fragrance component or fixative in perfumery and household products; as an emollient/solvent in cosmetics and personal care products; and as an intermediate in organic synthesis for fragrance-related esters or specialty chemical products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5814.18
methanol	5386.65
isopropanol	5513.34
water	0.09
ethyl acetate	5670.55
n-propanol	4523.04
acetone	6922.18
n-butanol	4455.38
acetonitrile	3529.01
DMF	4102.63
toluene	1935.77
isobutanol	3665.0
1,4-dioxane	5148.21
methyl acetate	3258.64
THF	7441.47
2-butanone	4866.48
n-pentanol	3024.23
sec-butanol	4319.02
n-hexane	1276.18
ethylene glycol	229.7
NMP	2539.6
cyclohexane	1964.44
DMSO	3961.68
n-butyl acetate	5032.84
n-octanol	1147.7
chloroform	7041.06
n-propyl acetate	3646.48
acetic acid	2219.0
dichloromethane	6209.76
cyclohexanone	7037.25
propylene glycol	648.83
isopropyl acetate	3894.53
DMAc	2857.05
2-ethoxyethanol	2520.8
isopentanol	4117.2
n-heptane	501.36
ethyl formate	2372.83
1,2-dichloroethane	5129.99
n-hexanol	3170.24
2-methoxyethanol	3752.63
isobutyl acetate	2231.55
tetrachloromethane	1246.72
n-pentyl acetate	2484.95
transcutol	6740.78
n-heptanol	1172.83
ethylbenzene	1133.45
MIBK	2734.59
2-propoxyethanol	3416.75
tert-butanol	5756.85
MTBE	6283.95
2-butoxyethanol	1954.29
propionic acid	1971.48
o-xylene	1142.0
formic acid	379.25
diethyl ether	5571.05
m-xylene	1205.77
p-xylene	1564.9
chlorobenzene	2437.13
dimethyl carbonate	520.45
n-octane	185.97
formamide	616.97
cyclopentanone	4808.51
2-pentanone	4785.1
anisole	1795.77
cyclopentyl methyl ether	3863.43
gamma-butyrolactone	3913.15
1-methoxy-2-propanol	3206.31
pyridine	4644.64
3-pentanone	2548.34
furfural	2976.04
n-dodecane	102.95
diethylene glycol	1385.84
diisopropyl ether	1648.44
tert-amyl alcohol	4361.31
acetylacetone	3590.29
n-hexadecane	125.82
acetophenone	1599.21
methyl propionate	2434.64
isopentyl acetate	4364.62
trichloroethylene	7350.48
n-nonanol	945.64
cyclohexanol	4243.38
benzyl alcohol	1371.52
2-ethylhexanol	2024.37
isooctanol	1044.49
dipropyl ether	2755.36
1,2-dichlorobenzene	2033.86
ethyl lactate	864.81
propylene carbonate	2456.75
n-methylformamide	1735.42
2-pentanol	3393.79
n-pentane	753.95
1-propoxy-2-propanol	3104.09
1-methoxy-2-propyl acetate	2641.16
2-(2-methoxypropoxy) propanol	1395.35
mesitylene	802.28
ε-caprolactone	5004.8
p-cymene	675.98
epichlorohydrin	5236.52
1,1,1-trichloroethane	4999.25
2-aminoethanol	944.07
morpholine-4-carbaldehyde	2924.35
sulfolane	3544.94
2,2,4-trimethylpentane	304.58
2-methyltetrahydrofuran	6515.38
n-hexyl acetate	2825.36
isooctane	252.09
2-(2-butoxyethoxy)ethanol	2032.54
sec-butyl acetate	2685.3
tert-butyl acetate	3350.19
decalin	551.71
glycerin	580.57
diglyme	3943.81
acrylic acid	1087.61
isopropyl myristate	867.99
n-butyric acid	4743.53
acetyl acetate	2254.19
di(2-ethylhexyl) phthalate	660.18
ethyl propionate	2733.94
nitromethane	3262.21
1,2-diethoxyethane	3756.44
benzonitrile	2317.32
trioctyl phosphate	507.85
1-bromopropane	4193.9
gamma-valerolactone	5779.97
n-decanol	622.7
triethyl phosphate	727.1
4-methyl-2-pentanol	1736.23
propionitrile	3186.99
vinylene carbonate	1968.19
1,1,2-trichlorotrifluoroethane	2622.92
DMS	1242.61
cumene	729.21
2-octanol	972.23
2-hexanone	3635.41
octyl acetate	1021.81
limonene	1292.52
1,2-dimethoxyethane	5250.0
ethyl orthosilicate	796.82
tributyl phosphate	695.05
diacetone alcohol	2552.41
N,N-dimethylaniline	1089.13
acrylonitrile	2631.31
aniline	1880.63
1,3-propanediol	1948.64
bromobenzene	2686.32
dibromomethane	4767.05
1,1,2,2-tetrachloroethane	6380.78
2-methyl-cyclohexyl acetate	1612.27
tetrabutyl urea	830.27
diisobutyl methanol	1100.54
2-phenylethanol	1473.68
styrene	1537.74
dioctyl adipate	1159.36
dimethyl sulfate	693.63
ethyl butyrate	2788.95
methyl lactate	761.27
butyl lactate	1413.86
diethyl carbonate	1358.84
propanediol butyl ether	1436.27
triethyl orthoformate	1581.84
p-tert-butyltoluene	635.08
methyl 4-tert-butylbenzoate	1208.9
morpholine	7579.25
tert-butylamine	3728.84
n-dodecanol	443.99
dimethoxymethane	2383.68
ethylene carbonate	2089.01
cyrene	939.95
2-ethoxyethyl acetate	2393.0
2-ethylhexyl acetate	3149.43
1,2,4-trichlorobenzene	2089.44
4-methylpyridine	4585.39
dibutyl ether	2452.81
2,6-dimethyl-4-heptanol	1100.54
DEF	3773.97
dimethyl isosorbide	1995.54
tetrachloroethylene	3921.75
eugenol	1160.39
triacetin	1634.16
span 80	1415.56
1,4-butanediol	770.93
1,1-dichloroethane	5968.41
2-methyl-1-pentanol	2542.55
methyl formate	1041.11
2-methyl-1-butanol	3378.23
n-decane	222.17
butyronitrile	4515.49
3,7-dimethyl-1-octanol	1313.36
1-chlorooctane	954.73
1-chlorotetradecane	299.22
n-nonane	243.2
undecane	142.47
tert-butylcyclohexane	477.21
cyclooctane	413.19
cyclopentanol	3252.52
tetrahydropyran	8838.44
tert-amyl methyl ether	3361.05
2,5,8-trioxanonane	2208.99
1-hexene	3648.31
2-isopropoxyethanol	2042.31
2,2,2-trifluoroethanol	471.2
methyl butyrate	4172.75

Scent© AI