Molecular formula
C9H14O2

SMILES
CC1=CC(=CC=C1)O.COC

Fragrance
Phenolic	84.19%
Woody	63.51%
Medicinal	60.29%
Leathery	50.12%
Animal	49.42%
Smoky	45.49%
Dry	37.84%
Burnt	35.94%
Spicy	35.34%
Musty	32.85%

 

Flavor
Phenolic	78.77%
Medicinal	60.18%
Woody	50.81%
Phenol	43.0%
Leather	42.79%
Plastic	42.02%
Smoke	40.96%
Medical	39.89%
Smoky	33.92%
Medicine	31.59%

 

Odor impact est.
High

pKa est.
9.83 (weak base)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
199°C

Flash point

• 78.84 ˚C est.

• SCHEMBL4887412

Methoxymethane;3-methylphenol is used primarily as a solvent and reaction medium in industrial production; dimethyl ether (Methoxymethane) is also employed as an aerosol propellant and solvent for coatings, adhesives, and pharmaceutical synthesis workflows; 3-methylphenol (m-cresol) serves as an important intermediate for the manufacture of disinfectants and pesticides, as well as dyes and pigments; it is a precursor for phenolic resins and specialty adhesives and is used in some specialty cleaning formulations under strict regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2086.42
methanol	2244.31
isopropanol	1382.32
water	8.16
ethyl acetate	919.13
n-propanol	1314.84
acetone	1436.27
n-butanol	1047.55
acetonitrile	1426.13
DMF	677.62
toluene	106.66
isobutanol	756.91
1,4-dioxane	2247.24
methyl acetate	795.18
THF	2301.26
2-butanone	775.97
n-pentanol	731.15
sec-butanol	836.59
n-hexane	162.11
ethylene glycol	287.58
NMP	476.53
cyclohexane	84.07
DMSO	1092.58
n-butyl acetate	495.21
n-octanol	285.92
chloroform	354.21
n-propyl acetate	435.38
acetic acid	1094.95
dichloromethane	291.58
cyclohexanone	639.27
propylene glycol	327.73
isopropyl acetate	416.52
DMAc	285.76
2-ethoxyethanol	754.79
isopentanol	650.63
n-heptane	109.57
ethyl formate	438.66
1,2-dichloroethane	283.24
n-hexanol	890.36
2-methoxyethanol	1286.74
isobutyl acetate	249.31
tetrachloromethane	80.93
n-pentyl acetate	211.6
transcutol	1612.47
n-heptanol	306.8
ethylbenzene	58.35
MIBK	385.01
2-propoxyethanol	1074.07
tert-butanol	1150.55
MTBE	773.17
2-butoxyethanol	446.33
propionic acid	779.92
o-xylene	62.98
formic acid	433.92
diethyl ether	1439.78
m-xylene	98.88
p-xylene	68.33
chlorobenzene	124.41
dimethyl carbonate	182.31
n-octane	33.84
formamide	585.73
cyclopentanone	792.23
2-pentanone	722.08
anisole	212.66
cyclopentyl methyl ether	752.12
gamma-butyrolactone	969.68
1-methoxy-2-propanol	880.96
pyridine	373.26
3-pentanone	379.1
furfural	469.78
n-dodecane	26.83
diethylene glycol	712.88
diisopropyl ether	295.1
tert-amyl alcohol	685.84
acetylacetone	534.67
n-hexadecane	28.96
acetophenone	135.92
methyl propionate	515.65
isopentyl acetate	352.27
trichloroethylene	343.11
n-nonanol	242.91
cyclohexanol	474.01
benzyl alcohol	169.97
2-ethylhexanol	342.11
isooctanol	224.18
dipropyl ether	509.4
1,2-dichlorobenzene	86.84
ethyl lactate	152.0
propylene carbonate	400.08
n-methylformamide	649.52
2-pentanol	673.65
n-pentane	138.2
1-propoxy-2-propanol	654.21
1-methoxy-2-propyl acetate	408.24
2-(2-methoxypropoxy) propanol	308.42
mesitylene	65.44
ε-caprolactone	546.74
p-cymene	55.89
epichlorohydrin	878.59
1,1,1-trichloroethane	267.55
2-aminoethanol	619.39
morpholine-4-carbaldehyde	706.36
sulfolane	667.27
2,2,4-trimethylpentane	48.28
2-methyltetrahydrofuran	1297.57
n-hexyl acetate	342.82
isooctane	57.92
2-(2-butoxyethoxy)ethanol	494.25
sec-butyl acetate	242.42
tert-butyl acetate	412.67
decalin	38.26
glycerin	364.26
diglyme	743.85
acrylic acid	495.79
isopropyl myristate	135.75
n-butyric acid	831.6
acetyl acetate	349.86
di(2-ethylhexyl) phthalate	97.6
ethyl propionate	310.89
nitromethane	1303.04
1,2-diethoxyethane	606.16
benzonitrile	190.46
trioctyl phosphate	90.76
1-bromopropane	269.2
gamma-valerolactone	937.19
n-decanol	184.88
triethyl phosphate	93.22
4-methyl-2-pentanol	320.78
propionitrile	703.24
vinylene carbonate	299.96
1,1,2-trichlorotrifluoroethane	333.63
DMS	175.04
cumene	49.53
2-octanol	182.74
2-hexanone	502.54
octyl acetate	180.74
limonene	110.6
1,2-dimethoxyethane	976.32
ethyl orthosilicate	97.15
tributyl phosphate	106.36
diacetone alcohol	473.29
N,N-dimethylaniline	109.23
acrylonitrile	528.0
aniline	211.76
1,3-propanediol	795.93
bromobenzene	93.95
dibromomethane	223.49
1,1,2,2-tetrachloroethane	276.98
2-methyl-cyclohexyl acetate	176.37
tetrabutyl urea	119.37
diisobutyl methanol	185.03
2-phenylethanol	238.53
styrene	69.79
dioctyl adipate	160.17
dimethyl sulfate	193.18
ethyl butyrate	288.72
methyl lactate	221.49
butyl lactate	157.19
diethyl carbonate	151.02
propanediol butyl ether	326.13
triethyl orthoformate	174.06
p-tert-butyltoluene	62.42
methyl 4-tert-butylbenzoate	164.36
morpholine	1904.62
tert-butylamine	735.65
n-dodecanol	140.15
dimethoxymethane	816.98
ethylene carbonate	308.16
cyrene	202.83
2-ethoxyethyl acetate	288.82
2-ethylhexyl acetate	247.04
1,2,4-trichlorobenzene	105.56
4-methylpyridine	301.8
dibutyl ether	309.45
2,6-dimethyl-4-heptanol	185.03
DEF	442.26
dimethyl isosorbide	408.08
tetrachloroethylene	180.87
eugenol	178.63
triacetin	205.99
span 80	282.68
1,4-butanediol	299.18
1,1-dichloroethane	338.76
2-methyl-1-pentanol	441.13
methyl formate	449.25
2-methyl-1-butanol	586.63
n-decane	45.97
butyronitrile	731.39
3,7-dimethyl-1-octanol	247.73
1-chlorooctane	140.77
1-chlorotetradecane	58.94
n-nonane	47.37
undecane	33.73
tert-butylcyclohexane	50.43
cyclooctane	33.76
cyclopentanol	597.84
tetrahydropyran	1550.79
tert-amyl methyl ether	428.4
2,5,8-trioxanonane	492.49
1-hexene	403.83
2-isopropoxyethanol	486.49
2,2,2-trifluoroethanol	245.41
methyl butyrate	353.9

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