Molecular formula
C13H18O2

SMILES
CCOC(C=CC1=CC=CC=C1)OCC

Safety labels

Fragrance
Green	81.58%
Spicy	74.26%
Sweet	74.2%
Cinnamon	58.69%
Herbal	52.83%
Fresh	49.31%
Balsamic	44.97%
Floral	42.49%
Fruity	38.6%
Hyacinth	36.32%

 

Flavor
Green	67.14%
Floral	56.92%
Fruity	42.2%
Bitter	35.54%
Earthy	31.77%
Rose	31.58%
Hyacinth	30.7%
Tropical	29.13%
Fresh	27.53%
Sweet	26.96%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
6.6 (neutral)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
257°C

Flash point

• 120.69 ˚C est.

• Cinnamaldehyde Diethylacetal
• Benzene, (3,3-diethoxy-1-propenyl)-
• DTXSID2064575
• SCHEMBL3276111
• DTXCID5047031
• VYKDEWVAUWARRX-UHFFFAOYSA-N
• 3,3-diethoxyl-1-phenylprop-1-ene
• DB-055535
• NS00003826

Benzene, (3,3-diethoxy-1-propenyl)- is primarily used as an intermediate in fragrance chemistry; it may function as a reactive monomer or a crosslinking agent in polymer and plastics technology; it is used in coatings and inks as a specialty precursor; it can serve as a fragrance ingredient in cosmetics and personal care; and it may appear in household products and cleaners as a fragrance component or odorant.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	379.55
methanol	360.95
isopropanol	273.38
water	0.41
ethyl acetate	859.92
n-propanol	334.83
acetone	992.1
n-butanol	369.56
acetonitrile	757.07
DMF	767.9
toluene	540.39
isobutanol	297.15
1,4-dioxane	1158.45
methyl acetate	666.81
THF	1204.14
2-butanone	674.89
n-pentanol	315.34
sec-butanol	308.41
n-hexane	337.05
ethylene glycol	75.31
NMP	867.84
cyclohexane	600.27
DMSO	1216.49
n-butyl acetate	702.97
n-octanol	192.72
chloroform	3947.48
n-propyl acetate	577.76
acetic acid	694.11
dichloromethane	4055.49
cyclohexanone	1158.46
propylene glycol	102.84
isopropyl acetate	471.26
DMAc	862.87
2-ethoxyethanol	394.02
isopentanol	342.46
n-heptane	176.84
ethyl formate	381.01
1,2-dichloroethane	2382.37
n-hexanol	379.01
2-methoxyethanol	460.23
isobutyl acetate	360.88
tetrachloromethane	587.36
n-pentyl acetate	368.41
transcutol	1284.91
n-heptanol	154.88
ethylbenzene	310.03
MIBK	347.99
2-propoxyethanol	449.77
tert-butanol	448.29
MTBE	601.96
2-butoxyethanol	264.52
propionic acid	403.03
o-xylene	320.58
formic acid	121.55
diethyl ether	1008.7
m-xylene	306.96
p-xylene	384.26
chlorobenzene	842.99
dimethyl carbonate	312.0
n-octane	65.41
formamide	199.87
cyclopentanone	1085.1
2-pentanone	611.61
anisole	481.52
cyclopentyl methyl ether	746.73
gamma-butyrolactone	1169.84
1-methoxy-2-propanol	356.94
pyridine	1096.23
3-pentanone	640.61
furfural	838.67
n-dodecane	47.75
diethylene glycol	278.15
diisopropyl ether	273.92
tert-amyl alcohol	387.08
acetylacetone	723.32
n-hexadecane	55.25
acetophenone	458.88
methyl propionate	608.2
isopentyl acetate	538.51
trichloroethylene	3480.22
n-nonanol	178.66
cyclohexanol	502.94
benzyl alcohol	319.09
2-ethylhexanol	292.36
isooctanol	143.09
dipropyl ether	551.56
1,2-dichlorobenzene	800.25
ethyl lactate	211.06
propylene carbonate	692.83
n-methylformamide	293.42
2-pentanol	293.09
n-pentane	228.89
1-propoxy-2-propanol	366.91
1-methoxy-2-propyl acetate	452.92
2-(2-methoxypropoxy) propanol	302.42
mesitylene	219.94
ε-caprolactone	858.66
p-cymene	188.81
epichlorohydrin	1370.5
1,1,1-trichloroethane	1819.21
2-aminoethanol	150.78
morpholine-4-carbaldehyde	740.98
sulfolane	1354.66
2,2,4-trimethylpentane	94.8
2-methyltetrahydrofuran	960.4
n-hexyl acetate	486.33
isooctane	59.84
2-(2-butoxyethoxy)ethanol	379.03
sec-butyl acetate	376.42
tert-butyl acetate	480.05
decalin	189.9
glycerin	150.9
diglyme	757.87
acrylic acid	372.79
isopropyl myristate	215.27
n-butyric acid	604.32
acetyl acetate	635.33
di(2-ethylhexyl) phthalate	174.62
ethyl propionate	513.49
nitromethane	966.06
1,2-diethoxyethane	718.13
benzonitrile	485.02
trioctyl phosphate	130.37
1-bromopropane	1383.26
gamma-valerolactone	936.71
n-decanol	136.37
triethyl phosphate	267.63
4-methyl-2-pentanol	177.14
propionitrile	551.66
vinylene carbonate	631.78
1,1,2-trichlorotrifluoroethane	897.19
DMS	465.69
cumene	201.25
2-octanol	123.84
2-hexanone	511.56
octyl acetate	247.08
limonene	308.24
1,2-dimethoxyethane	799.22
ethyl orthosilicate	258.54
tributyl phosphate	196.86
diacetone alcohol	345.56
N,N-dimethylaniline	348.33
acrylonitrile	561.4
aniline	494.42
1,3-propanediol	224.92
bromobenzene	1129.46
dibromomethane	2679.04
1,1,2,2-tetrachloroethane	3030.2
2-methyl-cyclohexyl acetate	384.31
tetrabutyl urea	240.57
diisobutyl methanol	174.26
2-phenylethanol	295.4
styrene	443.37
dioctyl adipate	310.43
dimethyl sulfate	494.23
ethyl butyrate	536.83
methyl lactate	213.61
butyl lactate	238.18
diethyl carbonate	415.67
propanediol butyl ether	213.67
triethyl orthoformate	362.72
p-tert-butyltoluene	177.24
methyl 4-tert-butylbenzoate	331.35
morpholine	1049.56
tert-butylamine	363.43
n-dodecanol	112.17
dimethoxymethane	583.28
ethylene carbonate	581.64
cyrene	308.97
2-ethoxyethyl acetate	424.07
2-ethylhexyl acetate	466.67
1,2,4-trichlorobenzene	860.87
4-methylpyridine	905.76
dibutyl ether	473.36
2,6-dimethyl-4-heptanol	174.26
DEF	781.2
dimethyl isosorbide	513.92
tetrachloroethylene	1879.95
eugenol	288.61
triacetin	454.09
span 80	279.66
1,4-butanediol	126.88
1,1-dichloroethane	1927.97
2-methyl-1-pentanol	300.58
methyl formate	287.8
2-methyl-1-butanol	353.02
n-decane	78.97
butyronitrile	577.05
3,7-dimethyl-1-octanol	203.17
1-chlorooctane	267.19
1-chlorotetradecane	114.32
n-nonane	84.33
undecane	58.39
tert-butylcyclohexane	146.13
cyclooctane	173.23
cyclopentanol	407.28
tetrahydropyran	1299.11
tert-amyl methyl ether	452.08
2,5,8-trioxanonane	528.45
1-hexene	609.37
2-isopropoxyethanol	318.65
2,2,2-trifluoroethanol	240.77
methyl butyrate	659.37

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