Molecular formula
C9H9NO2

SMILES
CC1=CC(=C(C(=C1C#N)O)C)O

Fragrance
Phenolic	65.63%
Smoky	44.69%
Spicy	43.04%
Burnt	38.57%
Medicinal	36.15%
Woody	36.03%
Sweet	32.83%
Dry	30.64%
Odorless	29.95%
Leathery	25.74%

 

Flavor
Bitter	81.81%
Odorless	31.18%
Mild	25.14%
Bland	20.95%
Nitrile	20.62%
Sweet-like	20.41%
Cedarleaf	20.28%
Flat	20.02%
Soybean	19.91%
Very strong	19.83%

 

Odor impact est.
Medium

XLogP3-AA
2.2

pKa est.
10.08 (weak base)

Molecular weight
163.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
439°C

Flash point

• 153.26 ˚C est.

• 2,5-dimethyl-4-cyanoresorcinol
• SCHEMBL11047933

2,5-Dimethyl-4-cyanoresorcinol is commonly used as an intermediate in the synthesis of dyes and pigments for textiles and printing inks; it also serves as a building block for specialty polymers and resins, and as a precursor for advanced coating and ink formulations; in cosmetics, it is considered a dye intermediate for hair coloration; in the realm of fine chemicals, it is often evaluated as a synthetic intermediate for aromatic compounds used in pharmaceutical ingredients and related products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	161.56
methanol	214.22
isopropanol	109.47
water	5.01
ethyl acetate	179.41
n-propanol	110.89
acetone	499.09
n-butanol	77.95
acetonitrile	239.36
DMF	584.78
toluene	23.33
isobutanol	56.65
1,4-dioxane	437.18
methyl acetate	205.53
THF	1028.99
2-butanone	235.53
n-pentanol	72.06
sec-butanol	69.06
n-hexane	6.57
ethylene glycol	95.3
NMP	305.57
cyclohexane	3.4
DMSO	1049.81
n-butyl acetate	78.02
n-octanol	47.47
chloroform	106.31
n-propyl acetate	99.65
acetic acid	147.65
dichloromethane	126.01
cyclohexanone	229.91
propylene glycol	63.25
isopropyl acetate	98.31
DMAc	207.19
2-ethoxyethanol	157.53
isopentanol	51.04
n-heptane	6.91
ethyl formate	118.48
1,2-dichloroethane	129.24
n-hexanol	80.02
2-methoxyethanol	279.44
isobutyl acetate	55.05
tetrachloromethane	27.09
n-pentyl acetate	63.14
transcutol	143.92
n-heptanol	49.19
ethylbenzene	18.98
MIBK	100.73
2-propoxyethanol	174.24
tert-butanol	120.02
MTBE	86.3
2-butoxyethanol	92.36
propionic acid	106.71
o-xylene	17.13
formic acid	112.13
diethyl ether	147.58
m-xylene	25.38
p-xylene	25.73
chlorobenzene	45.82
dimethyl carbonate	131.57
n-octane	4.65
formamide	219.05
cyclopentanone	545.19
2-pentanone	204.55
anisole	67.82
cyclopentyl methyl ether	204.99
gamma-butyrolactone	586.13
1-methoxy-2-propanol	207.96
pyridine	126.57
3-pentanone	125.78
furfural	238.38
n-dodecane	4.09
diethylene glycol	176.92
diisopropyl ether	37.1
tert-amyl alcohol	69.44
acetylacetone	265.4
n-hexadecane	4.73
acetophenone	67.86
methyl propionate	168.7
isopentyl acetate	61.27
trichloroethylene	178.69
n-nonanol	41.59
cyclohexanol	54.91
benzyl alcohol	49.19
2-ethylhexanol	41.31
isooctanol	37.47
dipropyl ether	60.11
1,2-dichlorobenzene	41.26
ethyl lactate	57.76
propylene carbonate	170.25
n-methylformamide	313.49
2-pentanol	57.24
n-pentane	4.85
1-propoxy-2-propanol	103.38
1-methoxy-2-propyl acetate	100.01
2-(2-methoxypropoxy) propanol	62.12
mesitylene	17.86
ε-caprolactone	159.77
p-cymene	16.83
epichlorohydrin	479.13
1,1,1-trichloroethane	100.54
2-aminoethanol	96.3
morpholine-4-carbaldehyde	253.24
sulfolane	565.64
2,2,4-trimethylpentane	3.32
2-methyltetrahydrofuran	331.72
n-hexyl acetate	83.47
isooctane	4.21
2-(2-butoxyethoxy)ethanol	89.32
sec-butyl acetate	56.9
tert-butyl acetate	116.96
decalin	4.47
glycerin	108.02
diglyme	174.07
acrylic acid	103.82
isopropyl myristate	35.23
n-butyric acid	104.26
acetyl acetate	104.56
di(2-ethylhexyl) phthalate	30.56
ethyl propionate	95.72
nitromethane	537.49
1,2-diethoxyethane	69.74
benzonitrile	55.58
trioctyl phosphate	30.59
1-bromopropane	55.99
gamma-valerolactone	406.73
n-decanol	31.69
triethyl phosphate	34.22
4-methyl-2-pentanol	35.13
propionitrile	118.75
vinylene carbonate	137.48
1,1,2-trichlorotrifluoroethane	172.55
DMS	81.67
cumene	16.11
2-octanol	38.26
2-hexanone	119.78
octyl acetate	46.3
limonene	23.47
1,2-dimethoxyethane	259.65
ethyl orthosilicate	31.43
tributyl phosphate	30.75
diacetone alcohol	136.93
N,N-dimethylaniline	44.26
acrylonitrile	167.55
aniline	46.49
1,3-propanediol	129.52
bromobenzene	38.11
dibromomethane	80.96
1,1,2,2-tetrachloroethane	122.86
2-methyl-cyclohexyl acetate	49.05
tetrabutyl urea	40.57
diisobutyl methanol	28.32
2-phenylethanol	61.24
styrene	20.62
dioctyl adipate	43.36
dimethyl sulfate	242.87
ethyl butyrate	59.25
methyl lactate	91.56
butyl lactate	46.35
diethyl carbonate	39.64
propanediol butyl ether	72.53
triethyl orthoformate	42.23
p-tert-butyltoluene	18.62
methyl 4-tert-butylbenzoate	68.33
morpholine	358.61
tert-butylamine	51.25
n-dodecanol	23.69
dimethoxymethane	395.5
ethylene carbonate	121.81
cyrene	84.46
2-ethoxyethyl acetate	82.81
2-ethylhexyl acetate	48.53
1,2,4-trichlorobenzene	47.84
4-methylpyridine	99.18
dibutyl ether	40.28
2,6-dimethyl-4-heptanol	28.32
DEF	139.97
dimethyl isosorbide	120.58
tetrachloroethylene	79.15
eugenol	66.1
triacetin	71.83
span 80	55.24
1,4-butanediol	63.15
1,1-dichloroethane	105.97
2-methyl-1-pentanol	43.76
methyl formate	291.2
2-methyl-1-butanol	43.57
n-decane	7.04
butyronitrile	93.4
3,7-dimethyl-1-octanol	33.7
1-chlorooctane	29.38
1-chlorotetradecane	11.35
n-nonane	6.65
undecane	5.29
tert-butylcyclohexane	5.49
cyclooctane	2.2
cyclopentanol	121.75
tetrahydropyran	243.87
tert-amyl methyl ether	57.65
2,5,8-trioxanonane	109.73
1-hexene	25.93
2-isopropoxyethanol	97.63
2,2,2-trifluoroethanol	96.14
methyl butyrate	110.82

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