Molecular formula
C18H28O3

SMILES
CCCCC(CC)C(=O)OC(C)COCC1=CC=CC=C1

Fragrance
Fruity	71.5%
Herbal	39.65%
Floral	35.54%
Woody	32.54%
Sweet	32.43%
Oily	31.23%
Peach	26.32%
Berry	26.21%
Jasmin	25.52%
Tropical	25.35%

 

Flavor
Fruity	67.37%
Green	51.48%
Waxy	42.5%
Oily	34.25%
Tropical	34.17%
Sweet	33.45%
Floral	30.84%
Herbal	27.57%
Wine	27.56%
Berry	26.6%

 

Odor impact est.
Medium

XLogP3-AA
4.7

pKa est.
6.28 (neutral)

Molecular weight
292.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
329°C

Flash point

• 142.24 ˚C est.

• SCHEMBL18053054
• VLMDEQCXCOCHSL-UHFFFAOYSA-N

1-Phenylmethoxypropan-2-yl 2-ethylhexanoate may be used as a fragrance ingredient and fixative in perfumery, and as a cosmetic/personal care component. It can also serve as a solvent or processing aid in cosmetic and household formulations. The ester’s 2-ethylhexanoate moiety provides potential as a plasticizer for polymers and plastics, and as a component in coatings and inks to improve flow and flexibility. Additionally, it may appear as an intermediate in fragrance synthesis or in adhesive formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4234.94
methanol	6007.6
isopropanol	2485.75
water	1.64
ethyl acetate	4890.26
n-propanol	3161.94
acetone	5676.26
n-butanol	2503.34
acetonitrile	5134.64
DMF	2691.85
toluene	1434.78
isobutanol	2164.84
1,4-dioxane	3904.33
methyl acetate	3241.0
THF	3821.83
2-butanone	3611.93
n-pentanol	1500.03
sec-butanol	2335.63
n-hexane	144.84
ethylene glycol	202.37
NMP	2335.82
cyclohexane	586.53
DMSO	3888.63
n-butyl acetate	2211.68
n-octanol	521.74
chloroform	10316.17
n-propyl acetate	2502.37
acetic acid	3078.97
dichloromethane	12975.95
cyclohexanone	5016.32
propylene glycol	333.4
isopropyl acetate	2255.23
DMAc	2155.44
2-ethoxyethanol	1770.24
isopentanol	1780.27
n-heptane	85.15
ethyl formate	2582.02
1,2-dichloroethane	7700.73
n-hexanol	1055.02
2-methoxyethanol	2522.47
isobutyl acetate	1206.29
tetrachloromethane	1041.6
n-pentyl acetate	1372.96
transcutol	4253.92
n-heptanol	507.32
ethylbenzene	734.27
MIBK	1390.95
2-propoxyethanol	1498.91
tert-butanol	1979.21
MTBE	2231.48
2-butoxyethanol	927.04
propionic acid	1956.65
o-xylene	764.48
formic acid	648.54
diethyl ether	3498.55
m-xylene	745.06
p-xylene	972.32
chlorobenzene	2485.96
dimethyl carbonate	768.73
n-octane	49.41
formamide	1331.24
cyclopentanone	3913.19
2-pentanone	3082.71
anisole	1244.32
cyclopentyl methyl ether	2050.46
gamma-butyrolactone	4149.36
1-methoxy-2-propanol	1600.19
pyridine	4023.7
3-pentanone	2072.14
furfural	2801.13
n-dodecane	37.23
diethylene glycol	815.08
diisopropyl ether	607.46
tert-amyl alcohol	1736.76
acetylacetone	2693.76
n-hexadecane	44.71
acetophenone	1330.39
methyl propionate	2386.84
isopentyl acetate	1571.42
trichloroethylene	11425.71
n-nonanol	426.71
cyclohexanol	2289.04
benzyl alcohol	1076.62
2-ethylhexanol	611.81
isooctanol	422.6
dipropyl ether	928.83
1,2-dichlorobenzene	1961.48
ethyl lactate	633.06
propylene carbonate	2273.71
n-methylformamide	2111.08
2-pentanol	1555.24
n-pentane	138.11
1-propoxy-2-propanol	1055.97
1-methoxy-2-propyl acetate	1271.45
2-(2-methoxypropoxy) propanol	609.34
mesitylene	429.68
ε-caprolactone	3679.02
p-cymene	337.24
epichlorohydrin	5733.01
1,1,1-trichloroethane	4706.51
2-aminoethanol	700.65
morpholine-4-carbaldehyde	2006.56
sulfolane	3327.83
2,2,4-trimethylpentane	92.77
2-methyltetrahydrofuran	3334.98
n-hexyl acetate	1473.56
isooctane	56.55
2-(2-butoxyethoxy)ethanol	989.0
sec-butyl acetate	1355.24
tert-butyl acetate	1505.02
decalin	172.01
glycerin	357.5
diglyme	2283.84
acrylic acid	1354.64
isopropyl myristate	411.96
n-butyric acid	3683.74
acetyl acetate	2175.48
di(2-ethylhexyl) phthalate	351.6
ethyl propionate	1856.21
nitromethane	5418.63
1,2-diethoxyethane	2010.33
benzonitrile	1679.5
trioctyl phosphate	257.21
1-bromopropane	3733.2
gamma-valerolactone	4404.55
n-decanol	274.68
triethyl phosphate	451.72
4-methyl-2-pentanol	620.74
propionitrile	2722.43
vinylene carbonate	2144.9
1,1,2-trichlorotrifluoroethane	2390.51
DMS	996.55
cumene	399.51
2-octanol	397.71
2-hexanone	1840.24
octyl acetate	548.41
limonene	569.13
1,2-dimethoxyethane	2907.94
ethyl orthosilicate	438.79
tributyl phosphate	371.99
diacetone alcohol	1227.98
N,N-dimethylaniline	642.8
acrylonitrile	2725.35
aniline	1515.2
1,3-propanediol	1311.04
bromobenzene	2787.95
dibromomethane	8188.74
1,1,2,2-tetrachloroethane	7483.47
2-methyl-cyclohexyl acetate	802.16
tetrabutyl urea	458.36
diisobutyl methanol	329.28
2-phenylethanol	817.17
styrene	1042.57
dioctyl adipate	620.28
dimethyl sulfate	924.67
ethyl butyrate	1511.18
methyl lactate	657.7
butyl lactate	792.31
diethyl carbonate	909.54
propanediol butyl ether	724.92
triethyl orthoformate	737.43
p-tert-butyltoluene	278.95
methyl 4-tert-butylbenzoate	755.46
morpholine	4462.04
tert-butylamine	1103.41
n-dodecanol	196.86
dimethoxymethane	2111.91
ethylene carbonate	2168.45
cyrene	664.06
2-ethoxyethyl acetate	1544.56
2-ethylhexyl acetate	1140.49
1,2,4-trichlorobenzene	1970.39
4-methylpyridine	3425.64
dibutyl ether	899.72
2,6-dimethyl-4-heptanol	329.28
DEF	2634.83
dimethyl isosorbide	1111.45
tetrachloroethylene	4924.21
eugenol	723.14
triacetin	1069.92
span 80	605.24
1,4-butanediol	551.2
1,1-dichloroethane	6465.85
2-methyl-1-pentanol	1225.54
methyl formate	1701.95
2-methyl-1-butanol	1882.43
n-decane	75.84
butyronitrile	3189.13
3,7-dimethyl-1-octanol	466.92
1-chlorooctane	465.03
1-chlorotetradecane	137.04
n-nonane	76.51
undecane	49.28
tert-butylcyclohexane	126.95
cyclooctane	105.64
cyclopentanol	1869.25
tetrahydropyran	5269.62
tert-amyl methyl ether	1289.45
2,5,8-trioxanonane	1182.3
1-hexene	804.6
2-isopropoxyethanol	1093.5
2,2,2-trifluoroethanol	849.5
methyl butyrate	2816.18

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