Molecular formula
C13H18O2

SMILES
CC(C)C(CC1=CC=CC=C1)OC(=O)C

Fragrance
Floral	89.75%
Sweet	76.0%
Green	60.04%
Fruity	58.1%
Rose	54.61%
Balsamic	50.38%
Honey	48.71%
Fresh	38.73%
Hyacinth	38.49%
Powdery	37.82%

 

Flavor
Sweet	76.75%
Floral	73.45%
Green	52.62%
Fruity	52.36%
Tropical	45.28%
Bitter	44.72%
Rose	43.99%
Herbal	40.17%
Honey	33.37%
Fresh	32.84%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
8.26 (weak base)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
250°C

Flash point

• 119.01 ˚C est.

• 1-BENZYL-2-METHYLPROPYL ACETATE

1-Benzyl-2-methylpropyl acetate is commonly encountered as a fragrance ingredient and aroma compound in perfumery and flavor formulations, where it can act as a fragrance fixative in complex blends; it is also used in cosmetics and personal care products as an odorant; in household products such as air fresheners and cleaners to impart a pleasant scent; in certain industrial formulations as a solvent or processing aid in coatings, inks, and adhesives; and as an intermediate in organic synthesis for developing fragrance or flavor components.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	887.67
methanol	1000.59
isopropanol	737.96
water	0.98
ethyl acetate	568.44
n-propanol	705.36
acetone	863.84
n-butanol	648.53
acetonitrile	534.2
DMF	1169.94
toluene	310.34
isobutanol	546.38
1,4-dioxane	1159.05
methyl acetate	591.61
THF	1100.67
2-butanone	680.6
n-pentanol	512.03
sec-butanol	592.51
n-hexane	107.6
ethylene glycol	159.58
NMP	704.12
cyclohexane	99.81
DMSO	862.03
n-butyl acetate	498.16
n-octanol	231.02
chloroform	2087.92
n-propyl acetate	356.03
acetic acid	470.65
dichloromethane	1524.54
cyclohexanone	852.56
propylene glycol	304.99
isopropyl acetate	389.19
DMAc	1048.48
2-ethoxyethanol	522.94
isopentanol	583.47
n-heptane	32.95
ethyl formate	351.34
1,2-dichloroethane	919.0
n-hexanol	540.39
2-methoxyethanol	728.57
isobutyl acetate	301.06
tetrachloromethane	190.17
n-pentyl acetate	246.41
transcutol	1309.39
n-heptanol	196.74
ethylbenzene	226.98
MIBK	352.29
2-propoxyethanol	655.85
tert-butanol	825.42
MTBE	682.63
2-butoxyethanol	333.5
propionic acid	476.13
o-xylene	212.05
formic acid	137.84
diethyl ether	614.15
m-xylene	218.16
p-xylene	291.11
chlorobenzene	432.81
dimethyl carbonate	194.58
n-octane	21.11
formamide	181.06
cyclopentanone	817.28
2-pentanone	520.53
anisole	425.85
cyclopentyl methyl ether	498.93
gamma-butyrolactone	791.28
1-methoxy-2-propanol	588.79
pyridine	675.93
3-pentanone	409.86
furfural	672.12
n-dodecane	20.78
diethylene glycol	457.17
diisopropyl ether	161.8
tert-amyl alcohol	632.73
acetylacetone	533.94
n-hexadecane	23.82
acetophenone	363.5
methyl propionate	401.83
isopentyl acetate	458.28
trichloroethylene	1539.91
n-nonanol	194.69
cyclohexanol	513.26
benzyl alcohol	350.83
2-ethylhexanol	279.77
isooctanol	167.97
dipropyl ether	260.29
1,2-dichlorobenzene	400.41
ethyl lactate	190.18
propylene carbonate	520.04
n-methylformamide	368.19
2-pentanol	421.46
n-pentane	54.65
1-propoxy-2-propanol	449.38
1-methoxy-2-propyl acetate	410.02
2-(2-methoxypropoxy) propanol	337.12
mesitylene	139.66
ε-caprolactone	655.21
p-cymene	115.3
epichlorohydrin	985.23
1,1,1-trichloroethane	787.35
2-aminoethanol	338.16
morpholine-4-carbaldehyde	769.83
sulfolane	826.53
2,2,4-trimethylpentane	38.11
2-methyltetrahydrofuran	780.56
n-hexyl acetate	395.51
isooctane	27.9
2-(2-butoxyethoxy)ethanol	443.15
sec-butyl acetate	280.65
tert-butyl acetate	378.78
decalin	64.46
glycerin	297.6
diglyme	745.44
acrylic acid	353.18
isopropyl myristate	155.7
n-butyric acid	631.79
acetyl acetate	355.12
di(2-ethylhexyl) phthalate	161.93
ethyl propionate	304.06
nitromethane	615.61
1,2-diethoxyethane	464.01
benzonitrile	397.71
trioctyl phosphate	112.81
1-bromopropane	586.52
gamma-valerolactone	957.24
n-decanol	147.76
triethyl phosphate	142.9
4-methyl-2-pentanol	248.47
propionitrile	475.42
vinylene carbonate	475.49
1,1,2-trichlorotrifluoroethane	632.97
DMS	327.57
cumene	156.05
2-octanol	146.46
2-hexanone	441.02
octyl acetate	200.48
limonene	169.95
1,2-dimethoxyethane	859.09
ethyl orthosilicate	141.85
tributyl phosphate	149.04
diacetone alcohol	418.64
N,N-dimethylaniline	274.72
acrylonitrile	485.6
aniline	374.69
1,3-propanediol	439.06
bromobenzene	481.25
dibromomethane	1039.91
1,1,2,2-tetrachloroethane	1472.36
2-methyl-cyclohexyl acetate	259.51
tetrabutyl urea	180.99
diisobutyl methanol	143.89
2-phenylethanol	334.53
styrene	281.91
dioctyl adipate	221.77
dimethyl sulfate	284.68
ethyl butyrate	294.8
methyl lactate	224.29
butyl lactate	224.46
diethyl carbonate	213.89
propanediol butyl ether	357.63
triethyl orthoformate	203.34
p-tert-butyltoluene	111.98
methyl 4-tert-butylbenzoate	280.05
morpholine	1153.78
tert-butylamine	481.64
n-dodecanol	112.57
dimethoxymethane	525.27
ethylene carbonate	422.3
cyrene	299.99
2-ethoxyethyl acetate	343.33
2-ethylhexyl acetate	330.47
1,2,4-trichlorobenzene	467.47
4-methylpyridine	718.63
dibutyl ether	262.34
2,6-dimethyl-4-heptanol	143.89
DEF	561.4
dimethyl isosorbide	460.19
tetrachloroethylene	864.77
eugenol	294.09
triacetin	349.81
span 80	305.56
1,4-butanediol	242.5
1,1-dichloroethane	996.19
2-methyl-1-pentanol	462.78
methyl formate	311.64
2-methyl-1-butanol	525.19
n-decane	34.56
butyronitrile	542.67
3,7-dimethyl-1-octanol	229.94
1-chlorooctane	158.51
1-chlorotetradecane	63.85
n-nonane	34.23
undecane	26.0
tert-butylcyclohexane	66.68
cyclooctane	28.15
cyclopentanol	457.06
tetrahydropyran	943.79
tert-amyl methyl ether	434.36
2,5,8-trioxanonane	499.9
1-hexene	427.19
2-isopropoxyethanol	401.16
2,2,2-trifluoroethanol	167.88
methyl butyrate	428.96

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