Molecular formula
C13H16O2

SMILES
CCC1(CCC(=O)O1)CC2=CC=CC=C2

Fragrance
Floral	61.05%
Sweet	55.61%
Creamy	38.24%
Spicy	36.63%
Coconut	35.13%
Honey	35.07%
Fruity	34.87%
Balsamic	33.99%
Coumarinic	33.24%
Powdery	32.72%

 

Flavor
Sweet	65.37%
Floral	43.82%
Green	37.19%
Herbal	37.15%
Fruity	36.2%
Balsam	35.2%
Honey	34.33%
Rose	33.75%
Peach	33.54%
Waxy	32.93%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
8.01 (weak base)

Molecular weight
204.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
354°C

Flash point

• 136.39 ˚C est.

5-Benzyl-5-ethyloxolan-2-one is typically used as an intermediate and fragrance-building block in several industrial applications: in perfumery and flavor sectors as a source or precursor for aroma compounds; in cosmetics and personal care as a fragrance ingredient; in household products and cleaning formulations as a scent component or as a reactive intermediate to optimize fragrance profiles; it is evaluated as a building block for specialty polymers and certain polyester materials; and in coatings and inks as a fragrance-active additive or reactive intermediate.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	779.31
methanol	1110.43
isopropanol	512.44
water	1.16
ethyl acetate	693.87
n-propanol	641.33
acetone	784.45
n-butanol	456.8
acetonitrile	674.24
DMF	923.86
toluene	305.54
isobutanol	402.16
1,4-dioxane	1522.9
methyl acetate	714.75
THF	988.43
2-butanone	696.72
n-pentanol	332.83
sec-butanol	386.23
n-hexane	14.24
ethylene glycol	200.6
NMP	485.77
cyclohexane	37.84
DMSO	944.23
n-butyl acetate	381.84
n-octanol	146.77
chloroform	2347.7
n-propyl acetate	354.4
acetic acid	422.2
dichloromethane	1831.44
cyclohexanone	730.9
propylene glycol	276.37
isopropyl acetate	379.71
DMAc	914.32
2-ethoxyethanol	513.53
isopentanol	397.68
n-heptane	9.41
ethyl formate	369.36
1,2-dichloroethane	963.11
n-hexanol	310.45
2-methoxyethanol	780.75
isobutyl acetate	285.21
tetrachloromethane	128.98
n-pentyl acetate	186.31
transcutol	1729.36
n-heptanol	118.91
ethylbenzene	176.27
MIBK	287.51
2-propoxyethanol	606.48
tert-butanol	510.61
MTBE	461.55
2-butoxyethanol	257.13
propionic acid	448.34
o-xylene	165.4
formic acid	165.34
diethyl ether	561.96
m-xylene	182.45
p-xylene	219.29
chlorobenzene	477.7
dimethyl carbonate	266.28
n-octane	6.71
formamide	305.09
cyclopentanone	683.05
2-pentanone	451.33
anisole	482.21
cyclopentyl methyl ether	379.29
gamma-butyrolactone	789.92
1-methoxy-2-propanol	572.33
pyridine	857.02
3-pentanone	374.17
furfural	711.36
n-dodecane	10.87
diethylene glycol	486.77
diisopropyl ether	119.24
tert-amyl alcohol	342.89
acetylacetone	553.54
n-hexadecane	12.73
acetophenone	374.04
methyl propionate	527.75
isopentyl acetate	358.75
trichloroethylene	1676.5
n-nonanol	128.63
cyclohexanol	315.26
benzyl alcohol	356.29
2-ethylhexanol	158.0
isooctanol	104.39
dipropyl ether	163.91
1,2-dichlorobenzene	406.82
ethyl lactate	167.07
propylene carbonate	494.42
n-methylformamide	448.3
2-pentanol	241.82
n-pentane	11.89
1-propoxy-2-propanol	344.74
1-methoxy-2-propyl acetate	401.18
2-(2-methoxypropoxy) propanol	329.01
mesitylene	106.34
ε-caprolactone	594.1
p-cymene	83.16
epichlorohydrin	1042.57
1,1,1-trichloroethane	665.16
2-aminoethanol	407.9
morpholine-4-carbaldehyde	771.78
sulfolane	665.56
2,2,4-trimethylpentane	15.13
2-methyltetrahydrofuran	630.97
n-hexyl acetate	314.95
isooctane	12.15
2-(2-butoxyethoxy)ethanol	474.9
sec-butyl acetate	264.36
tert-butyl acetate	345.92
decalin	28.43
glycerin	310.08
diglyme	778.06
acrylic acid	353.38
isopropyl myristate	129.47
n-butyric acid	503.77
acetyl acetate	411.37
di(2-ethylhexyl) phthalate	138.6
ethyl propionate	301.96
nitromethane	756.29
1,2-diethoxyethane	470.32
benzonitrile	434.1
trioctyl phosphate	86.34
1-bromopropane	476.66
gamma-valerolactone	886.91
n-decanol	97.59
triethyl phosphate	122.79
4-methyl-2-pentanol	156.29
propionitrile	545.84
vinylene carbonate	535.23
1,1,2-trichlorotrifluoroethane	525.76
DMS	354.48
cumene	118.15
2-octanol	84.94
2-hexanone	342.17
octyl acetate	158.06
limonene	107.21
1,2-dimethoxyethane	807.43
ethyl orthosilicate	115.19
tributyl phosphate	118.98
diacetone alcohol	334.51
N,N-dimethylaniline	253.51
acrylonitrile	618.99
aniline	403.29
1,3-propanediol	428.07
bromobenzene	522.89
dibromomethane	1062.87
1,1,2,2-tetrachloroethane	1288.24
2-methyl-cyclohexyl acetate	214.49
tetrabutyl urea	145.81
diisobutyl methanol	89.11
2-phenylethanol	290.26
styrene	248.86
dioctyl adipate	182.33
dimethyl sulfate	311.32
ethyl butyrate	248.83
methyl lactate	234.34
butyl lactate	170.38
diethyl carbonate	197.76
propanediol butyl ether	280.14
triethyl orthoformate	162.37
p-tert-butyltoluene	79.98
methyl 4-tert-butylbenzoate	255.26
morpholine	1295.33
tert-butylamine	281.39
n-dodecanol	76.35
dimethoxymethane	629.52
ethylene carbonate	471.34
cyrene	260.23
2-ethoxyethyl acetate	331.83
2-ethylhexyl acetate	258.11
1,2,4-trichlorobenzene	468.4
4-methylpyridine	697.13
dibutyl ether	176.04
2,6-dimethyl-4-heptanol	89.11
DEF	478.41
dimethyl isosorbide	429.63
tetrachloroethylene	690.71
eugenol	272.0
triacetin	337.13
span 80	242.48
1,4-butanediol	200.85
1,1-dichloroethane	940.09
2-methyl-1-pentanol	299.39
methyl formate	340.13
2-methyl-1-butanol	330.43
n-decane	15.92
butyronitrile	480.49
3,7-dimethyl-1-octanol	157.29
1-chlorooctane	93.99
1-chlorotetradecane	42.33
n-nonane	13.35
undecane	12.81
tert-butylcyclohexane	26.67
cyclooctane	10.88
cyclopentanol	298.55
tetrahydropyran	896.96
tert-amyl methyl ether	270.99
2,5,8-trioxanonane	553.66
1-hexene	119.6
2-isopropoxyethanol	365.7
2,2,2-trifluoroethanol	160.56
methyl butyrate	390.38

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