Molecular formula
C16H26O2

SMILES
CCCCOC(CC1=CC=CC=C1)OCCCC

Fragrance
Green	88.16%
Floral	60.7%
Sweet	58.01%
Herbal	55.95%
Hyacinth	44.11%
Leafy	44.1%
Rose	39.02%
Earthy	36.25%
Fruity	36.01%
Spicy	34.15%

 

Flavor
Green	76.49%
Floral	55.54%
Earthy	45.94%
Fruity	40.5%
Rose	39.3%
Mushroom	37.14%
Sweet	32.16%
Tropical	30.87%
Herbal	28.22%
Oily	27.26%

 

Odor impact est.
Medium

XLogP3-AA
4.6

pKa est.
6.77 (neutral)

Molecular weight
250.38 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
292°C

Flash point

• 127.97 ˚C est.

• NSC46156
• SCHEMBL3275777
• phenylacetaldehyde dibutyl acetal
• QWFGDCCPDAYERC-UHFFFAOYSA-N
• NSC-46156

Phenylacetaldehyde dibutyl acetal is an aldehyde-protecting acetal used as an intermediate in chemical synthesis, enabling storage or controlled release of phenylacetaldehyde when required. In fragrance and cosmetics, it serves as a precursor or masked form for aroma compounds, potentially releasing phenylacetaldehyde under formulation conditions. In coatings and inks, it can act as a processing aid and carrier for odorants in specialty formulations. In polymers and plastics, it can function as a functional building block or aldehyde-protecting reagent during polymer synthesis, supporting design flexibility for advanced materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2196.86
methanol	1575.12
isopropanol	1632.67
water	0.32
ethyl acetate	4082.38
n-propanol	1835.8
acetone	3977.54
n-butanol	2043.35
acetonitrile	2668.21
DMF	1983.93
toluene	1742.55
isobutanol	1602.28
1,4-dioxane	4157.45
methyl acetate	2500.5
THF	4215.18
2-butanone	2780.88
n-pentanol	1448.47
sec-butanol	1696.62
n-hexane	1316.01
ethylene glycol	146.83
NMP	1904.99
cyclohexane	3165.25
DMSO	3077.09
n-butyl acetate	3559.61
n-octanol	815.81
chloroform	10692.67
n-propyl acetate	2842.83
acetic acid	2094.12
dichloromethane	11474.55
cyclohexanone	5215.11
propylene glycol	269.1
isopropyl acetate	2491.07
DMAc	1947.53
2-ethoxyethanol	1384.37
isopentanol	1760.88
n-heptane	876.75
ethyl formate	1794.56
1,2-dichloroethane	7716.91
n-hexanol	1703.32
2-methoxyethanol	1654.53
isobutyl acetate	1601.84
tetrachloromethane	1774.95
n-pentyl acetate	1867.19
transcutol	4253.28
n-heptanol	735.6
ethylbenzene	1069.4
MIBK	1535.79
2-propoxyethanol	1652.42
tert-butanol	1849.4
MTBE	2558.15
2-butoxyethanol	1098.49
propionic acid	1489.73
o-xylene	1052.97
formic acid	299.01
diethyl ether	4181.33
m-xylene	976.59
p-xylene	1433.75
chlorobenzene	2805.44
dimethyl carbonate	752.93
n-octane	306.1
formamide	514.38
cyclopentanone	3594.55
2-pentanone	2825.71
anisole	1546.24
cyclopentyl methyl ether	2696.14
gamma-butyrolactone	3559.47
1-methoxy-2-propanol	1342.05
pyridine	3838.71
3-pentanone	2387.48
furfural	2594.79
n-dodecane	172.55
diethylene glycol	781.25
diisopropyl ether	1249.01
tert-amyl alcohol	1630.03
acetylacetone	2667.31
n-hexadecane	203.72
acetophenone	1489.92
methyl propionate	2106.96
isopentyl acetate	2602.82
trichloroethylene	9937.16
n-nonanol	740.63
cyclohexanol	2488.94
benzyl alcohol	1044.93
2-ethylhexanol	1324.19
isooctanol	659.54
dipropyl ether	2600.81
1,2-dichlorobenzene	2541.28
ethyl lactate	714.06
propylene carbonate	2425.65
n-methylformamide	935.86
2-pentanol	1573.85
n-pentane	980.02
1-propoxy-2-propanol	1562.03
1-methoxy-2-propyl acetate	1743.2
2-(2-methoxypropoxy) propanol	877.06
mesitylene	718.53
ε-caprolactone	3830.22
p-cymene	690.47
epichlorohydrin	4709.9
1,1,1-trichloroethane	6278.41
2-aminoethanol	435.11
morpholine-4-carbaldehyde	2021.77
sulfolane	3487.95
2,2,4-trimethylpentane	318.84
2-methyltetrahydrofuran	3753.85
n-hexyl acetate	2083.15
isooctane	241.93
2-(2-butoxyethoxy)ethanol	1294.47
sec-butyl acetate	1827.51
tert-butyl acetate	2037.6
decalin	732.65
glycerin	312.76
diglyme	2808.03
acrylic acid	1029.86
isopropyl myristate	850.56
n-butyric acid	3121.44
acetyl acetate	2451.9
di(2-ethylhexyl) phthalate	536.69
ethyl propionate	2318.34
nitromethane	3098.08
1,2-diethoxyethane	3003.82
benzonitrile	1715.9
trioctyl phosphate	446.75
1-bromopropane	4905.16
gamma-valerolactone	3721.21
n-decanol	521.05
triethyl phosphate	869.85
4-methyl-2-pentanol	785.82
propionitrile	2037.55
vinylene carbonate	2142.8
1,1,2-trichlorotrifluoroethane	2404.98
DMS	1351.96
cumene	682.83
2-octanol	600.29
2-hexanone	2341.72
octyl acetate	953.23
limonene	1271.78
1,2-dimethoxyethane	3161.57
ethyl orthosilicate	876.14
tributyl phosphate	667.16
diacetone alcohol	1276.0
N,N-dimethylaniline	951.87
acrylonitrile	1698.03
aniline	1503.48
1,3-propanediol	867.18
bromobenzene	3421.33
dibromomethane	8015.06
1,1,2,2-tetrachloroethane	8723.35
2-methyl-cyclohexyl acetate	1423.93
tetrabutyl urea	809.57
diisobutyl methanol	748.2
2-phenylethanol	998.57
styrene	1483.51
dioctyl adipate	1110.89
dimethyl sulfate	911.21
ethyl butyrate	2622.99
methyl lactate	602.45
butyl lactate	1017.61
diethyl carbonate	1533.79
propanediol butyl ether	749.33
triethyl orthoformate	1524.53
p-tert-butyltoluene	603.27
methyl 4-tert-butylbenzoate	1007.86
morpholine	4259.1
tert-butylamine	1482.93
n-dodecanol	414.14
dimethoxymethane	1755.49
ethylene carbonate	2175.79
cyrene	687.24
2-ethoxyethyl acetate	1828.53
2-ethylhexyl acetate	2171.81
1,2,4-trichlorobenzene	2544.14
4-methylpyridine	3297.98
dibutyl ether	2315.75
2,6-dimethyl-4-heptanol	748.2
DEF	2818.25
dimethyl isosorbide	1457.98
tetrachloroethylene	5914.35
eugenol	846.2
triacetin	1466.2
span 80	942.88
1,4-butanediol	423.88
1,1-dichloroethane	6494.91
2-methyl-1-pentanol	1297.24
methyl formate	831.77
2-methyl-1-butanol	1656.14
n-decane	337.52
butyronitrile	2700.84
3,7-dimethyl-1-octanol	830.76
1-chlorooctane	1118.84
1-chlorotetradecane	406.12
n-nonane	376.98
undecane	222.74
tert-butylcyclohexane	533.36
cyclooctane	731.95
cyclopentanol	1716.43
tetrahydropyran	6122.18
tert-amyl methyl ether	1654.96
2,5,8-trioxanonane	1633.82
1-hexene	2656.09
2-isopropoxyethanol	1119.93
2,2,2-trifluoroethanol	609.29
methyl butyrate	3211.96

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