Molecular formula
C12H24O2

SMILES
CCCCCCC(=O)OC(C)CCC

Fragrance
Fruity	94.52%
Green	79.07%
Winey	61.75%
Oily	59.1%
Apple	56.41%
Waxy	50.76%
Herbal	49.76%
Fatty	48.55%
Cognac	43.59%
Sweet	42.2%

 

Flavor
Fruity	75.94%
Green	59.23%
Herbal	43.5%
Pineapple	42.52%
Tropical	41.49%
Oily	38.03%
Waxy	32.79%
Apple	32.46%
Fresh	31.2%
Sweet	30.27%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
8.2 (weak base)

Molecular weight
200.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
230°C

Flash point

• 94.64 ˚C est.

• 2-pentanol 2-pentylacetate
• SCHEMBL23116981

2-Pentanol 2-pentylacetate is an ester used primarily as a fragrance ingredient in the perfumery and cosmetics sectors, acting as an odorant and possibly as a fixative; it is also employed as a light solvent or intermediate in chemical manufacturing; in household products such as cleaners and air fresheners, it provides fragrance and improves sensory appeal; in permitted food applications it may be considered a flavor/aroma component in processing; and in broader industrial contexts it can serve as an intermediate for fragrance-related syntheses or formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	12887.67
methanol	13202.95
isopropanol	11440.68
water	0.38
ethyl acetate	11858.38
n-propanol	10627.93
acetone	20558.58
n-butanol	9802.8
acetonitrile	11162.93
DMF	11690.57
toluene	5066.8
isobutanol	8847.53
1,4-dioxane	10951.5
methyl acetate	7429.95
THF	16679.12
2-butanone	11933.04
n-pentanol	6491.0
sec-butanol	10126.68
n-hexane	4911.26
ethylene glycol	799.7
NMP	9776.92
cyclohexane	5680.68
DMSO	12047.45
n-butyl acetate	10520.55
n-octanol	2752.02
chloroform	19317.51
n-propyl acetate	7052.27
acetic acid	7226.08
dichloromethane	18123.53
cyclohexanone	19206.31
propylene glycol	1585.88
isopropyl acetate	7319.8
DMAc	7025.2
2-ethoxyethanol	4568.71
isopentanol	8972.11
n-heptane	1352.31
ethyl formate	5477.07
1,2-dichloroethane	13395.25
n-hexanol	6797.57
2-methoxyethanol	7542.13
isobutyl acetate	3895.97
tetrachloromethane	3469.27
n-pentyl acetate	5128.17
transcutol	13572.04
n-heptanol	2259.64
ethylbenzene	2584.81
MIBK	6086.96
2-propoxyethanol	6627.21
tert-butanol	11663.85
MTBE	12736.68
2-butoxyethanol	3166.28
propionic acid	6152.01
o-xylene	2478.03
formic acid	1387.48
diethyl ether	14529.39
m-xylene	2648.93
p-xylene	3540.9
chlorobenzene	6695.69
dimethyl carbonate	1564.39
n-octane	463.0
formamide	2238.36
cyclopentanone	13863.64
2-pentanone	12208.71
anisole	3593.58
cyclopentyl methyl ether	10408.54
gamma-butyrolactone	12021.23
1-methoxy-2-propanol	5997.67
pyridine	11844.67
3-pentanone	7079.67
furfural	7267.04
n-dodecane	258.05
diethylene glycol	2716.2
diisopropyl ether	3956.08
tert-amyl alcohol	9919.0
acetylacetone	8354.16
n-hexadecane	312.12
acetophenone	3227.51
methyl propionate	6327.34
isopentyl acetate	8079.54
trichloroethylene	19031.33
n-nonanol	2216.42
cyclohexanol	11022.67
benzyl alcohol	2786.49
2-ethylhexanol	4112.34
isooctanol	1916.86
dipropyl ether	5497.85
1,2-dichlorobenzene	5027.34
ethyl lactate	1560.86
propylene carbonate	5973.05
n-methylformamide	5530.61
2-pentanol	7824.78
n-pentane	2786.46
1-propoxy-2-propanol	5688.59
1-methoxy-2-propyl acetate	5120.38
2-(2-methoxypropoxy) propanol	2414.03
mesitylene	1777.39
ε-caprolactone	12427.38
p-cymene	1380.42
epichlorohydrin	12395.65
1,1,1-trichloroethane	12479.08
2-aminoethanol	2474.92
morpholine-4-carbaldehyde	7282.4
sulfolane	11556.45
2,2,4-trimethylpentane	877.13
2-methyltetrahydrofuran	16049.11
n-hexyl acetate	6676.5
isooctane	639.6
2-(2-butoxyethoxy)ethanol	3759.23
sec-butyl acetate	4585.94
tert-butyl acetate	6502.85
decalin	1523.02
glycerin	1484.19
diglyme	6615.2
acrylic acid	3859.53
isopropyl myristate	1835.24
n-butyric acid	11663.48
acetyl acetate	4909.21
di(2-ethylhexyl) phthalate	1343.86
ethyl propionate	5316.21
nitromethane	11202.49
1,2-diethoxyethane	7524.89
benzonitrile	5314.76
trioctyl phosphate	1054.99
1-bromopropane	11322.59
gamma-valerolactone	13371.14
n-decanol	1402.05
triethyl phosphate	1396.28
4-methyl-2-pentanol	3558.26
propionitrile	8279.0
vinylene carbonate	5063.73
1,1,2-trichlorotrifluoroethane	6642.97
DMS	3004.93
cumene	1541.64
2-octanol	2061.68
2-hexanone	7853.17
octyl acetate	2320.99
limonene	3003.24
1,2-dimethoxyethane	9984.12
ethyl orthosilicate	1521.04
tributyl phosphate	1531.55
diacetone alcohol	4993.65
N,N-dimethylaniline	2264.79
acrylonitrile	7512.29
aniline	5127.39
1,3-propanediol	4060.46
bromobenzene	7825.55
dibromomethane	14643.55
1,1,2,2-tetrachloroethane	15584.45
2-methyl-cyclohexyl acetate	3177.48
tetrabutyl urea	1926.7
diisobutyl methanol	1945.07
2-phenylethanol	2925.49
styrene	3553.27
dioctyl adipate	2335.89
dimethyl sulfate	2344.47
ethyl butyrate	5143.27
methyl lactate	1737.31
butyl lactate	2878.73
diethyl carbonate	2372.58
propanediol butyl ether	2898.9
triethyl orthoformate	2736.41
p-tert-butyltoluene	1253.51
methyl 4-tert-butylbenzoate	2308.71
morpholine	15562.87
tert-butylamine	8581.8
n-dodecanol	989.2
dimethoxymethane	5801.23
ethylene carbonate	5230.74
cyrene	1825.24
2-ethoxyethyl acetate	4567.11
2-ethylhexyl acetate	5973.78
1,2,4-trichlorobenzene	5219.87
4-methylpyridine	12283.05
dibutyl ether	5759.31
2,6-dimethyl-4-heptanol	1945.07
DEF	10492.8
dimethyl isosorbide	3927.49
tetrachloroethylene	10157.23
eugenol	2045.74
triacetin	3367.66
span 80	2745.99
1,4-butanediol	1633.71
1,1-dichloroethane	14721.01
2-methyl-1-pentanol	5777.22
methyl formate	3453.14
2-methyl-1-butanol	8199.99
n-decane	559.3
butyronitrile	11665.72
3,7-dimethyl-1-octanol	2861.86
1-chlorooctane	2404.34
1-chlorotetradecane	713.26
n-nonane	635.09
undecane	356.45
tert-butylcyclohexane	1259.77
cyclooctane	1211.73
cyclopentanol	9163.8
tetrahydropyran	20553.74
tert-amyl methyl ether	7742.85
2,5,8-trioxanonane	3770.66
1-hexene	10880.77
2-isopropoxyethanol	3594.59
2,2,2-trifluoroethanol	1606.09
methyl butyrate	8589.54

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