Molecular formula
C19H25NO7

SMILES
CCOC1=CC=C(C=C1)N.CCOC(=O)O.COC1=C(C=CC(=C1)C=O)O

Fragrance
Sweet	74.47%
Floral	52.79%
Phenolic	50.11%
Animal	39.94%
Vanilla	39.89%
Powdery	36.86%
Anisic	35.42%
Fruity	33.37%
Smoky	33.11%
Hawthorn	31.09%

 

Flavor
Sweet	80.28%
Floral	60.55%
Phenolic	46.31%
Powdery	44.58%
Spicy	43.13%
Fruity	42.57%
Vanilla	38.19%
Anise	37.43%
Bitter	36.34%
Flower	33.74%

 

Odor impact est.
Low

pKa est.
5.09 (weak acid)

Molecular weight
379.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
246°C

Flash point

• 114.02 ˚C est.

• SCHEMBL9808388

Chemical name: 4-Ethoxyaniline;ethyl hydrogen carbonate;4-hydroxy-3-methoxybenzaldehyde. Applications span several industries; 4-Ethoxyaniline is commonly used as an organic intermediate in the synthesis of dyes and pigments and as a building block for pharmaceutical and specialty chemicals; Ethyl hydrogen carbonate can be used as a mild solvent and reagent in organic synthesis and as a buffering/processing aid in certain formulations; 4-hydroxy-3-methoxybenzaldehyde (vanillin) is a well-established flavor and fragrance ingredient used in perfumery, cosmetics, and food flavoring, and it also serves as a precursor for other fragrance materials and polymer-related derivatives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	535.48
methanol	712.55
isopropanol	284.26
water	8.32
ethyl acetate	270.19
n-propanol	336.16
acetone	415.07
n-butanol	308.09
acetonitrile	382.69
DMF	462.49
toluene	76.74
isobutanol	193.53
1,4-dioxane	496.27
methyl acetate	278.53
THF	537.99
2-butanone	267.37
n-pentanol	209.33
sec-butanol	205.88
n-hexane	15.74
ethylene glycol	195.91
NMP	289.41
cyclohexane	19.16
DMSO	1134.94
n-butyl acetate	182.24
n-octanol	67.56
chloroform	648.67
n-propyl acetate	133.0
acetic acid	519.07
dichloromethane	598.14
cyclohexanone	264.78
propylene glycol	203.27
isopropyl acetate	108.89
DMAc	417.4
2-ethoxyethanol	327.38
isopentanol	202.92
n-heptane	13.72
ethyl formate	229.39
1,2-dichloroethane	320.69
n-hexanol	184.96
2-methoxyethanol	524.22
isobutyl acetate	78.0
tetrachloromethane	100.79
n-pentyl acetate	78.85
transcutol	722.63
n-heptanol	66.11
ethylbenzene	35.41
MIBK	90.22
2-propoxyethanol	287.64
tert-butanol	305.59
MTBE	194.06
2-butoxyethanol	134.15
propionic acid	307.08
o-xylene	51.89
formic acid	272.73
diethyl ether	212.36
m-xylene	50.86
p-xylene	47.24
chlorobenzene	143.39
dimethyl carbonate	105.32
n-octane	5.46
formamide	315.21
cyclopentanone	331.59
2-pentanone	184.38
anisole	125.94
cyclopentyl methyl ether	168.03
gamma-butyrolactone	433.87
1-methoxy-2-propanol	306.66
pyridine	299.84
3-pentanone	137.22
furfural	420.66
n-dodecane	5.17
diethylene glycol	294.57
diisopropyl ether	41.68
tert-amyl alcohol	218.87
acetylacetone	208.38
n-hexadecane	5.74
acetophenone	105.8
methyl propionate	182.8
isopentyl acetate	130.82
trichloroethylene	573.83
n-nonanol	56.18
cyclohexanol	151.14
benzyl alcohol	120.88
2-ethylhexanol	90.04
isooctanol	50.24
dipropyl ether	101.05
1,2-dichlorobenzene	124.15
ethyl lactate	82.86
propylene carbonate	243.15
n-methylformamide	305.57
2-pentanol	140.47
n-pentane	15.82
1-propoxy-2-propanol	181.95
1-methoxy-2-propyl acetate	152.48
2-(2-methoxypropoxy) propanol	138.27
mesitylene	32.08
ε-caprolactone	234.4
p-cymene	33.81
epichlorohydrin	439.45
1,1,1-trichloroethane	272.55
2-aminoethanol	281.49
morpholine-4-carbaldehyde	354.99
sulfolane	489.33
2,2,4-trimethylpentane	11.76
2-methyltetrahydrofuran	319.37
n-hexyl acetate	109.16
isooctane	7.2
2-(2-butoxyethoxy)ethanol	185.13
sec-butyl acetate	72.53
tert-butyl acetate	107.96
decalin	12.67
glycerin	278.72
diglyme	332.74
acrylic acid	272.1
isopropyl myristate	42.26
n-butyric acid	375.14
acetyl acetate	185.57
di(2-ethylhexyl) phthalate	53.87
ethyl propionate	104.44
nitromethane	688.64
1,2-diethoxyethane	209.21
benzonitrile	163.67
trioctyl phosphate	38.35
1-bromopropane	169.63
gamma-valerolactone	380.89
n-decanol	42.35
triethyl phosphate	64.82
4-methyl-2-pentanol	68.93
propionitrile	260.48
vinylene carbonate	226.85
1,1,2-trichlorotrifluoroethane	382.83
DMS	107.73
cumene	29.4
2-octanol	41.17
2-hexanone	129.69
octyl acetate	55.26
limonene	51.69
1,2-dimethoxyethane	422.99
ethyl orthosilicate	63.17
tributyl phosphate	52.96
diacetone alcohol	146.13
N,N-dimethylaniline	77.19
acrylonitrile	286.5
aniline	160.6
1,3-propanediol	325.57
bromobenzene	138.84
dibromomethane	354.39
1,1,2,2-tetrachloroethane	464.06
2-methyl-cyclohexyl acetate	83.63
tetrabutyl urea	64.03
diisobutyl methanol	48.44
2-phenylethanol	107.32
styrene	52.73
dioctyl adipate	68.82
dimethyl sulfate	177.07
ethyl butyrate	114.5
methyl lactate	124.86
butyl lactate	78.94
diethyl carbonate	88.6
propanediol butyl ether	144.84
triethyl orthoformate	86.01
p-tert-butyltoluene	34.17
methyl 4-tert-butylbenzoate	89.27
morpholine	466.93
tert-butylamine	177.32
n-dodecanol	33.3
dimethoxymethane	270.0
ethylene carbonate	200.05
cyrene	122.7
2-ethoxyethyl acetate	126.62
2-ethylhexyl acetate	102.25
1,2,4-trichlorobenzene	159.07
4-methylpyridine	248.72
dibutyl ether	80.44
2,6-dimethyl-4-heptanol	48.44
DEF	220.74
dimethyl isosorbide	193.79
tetrachloroethylene	312.47
eugenol	100.58
triacetin	122.51
span 80	109.41
1,4-butanediol	155.68
1,1-dichloroethane	301.13
2-methyl-1-pentanol	153.09
methyl formate	232.37
2-methyl-1-butanol	190.85
n-decane	8.44
butyronitrile	264.44
3,7-dimethyl-1-octanol	68.53
1-chlorooctane	37.84
1-chlorotetradecane	15.61
n-nonane	7.9
undecane	6.3
tert-butylcyclohexane	13.08
cyclooctane	7.17
cyclopentanol	179.71
tetrahydropyran	313.62
tert-amyl methyl ether	122.27
2,5,8-trioxanonane	238.83
1-hexene	65.08
2-isopropoxyethanol	181.33
2,2,2-trifluoroethanol	179.03
methyl butyrate	151.77

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