Molecular formula
C13H22O2

SMILES
CCCOCCC.CC1=CC=C(C=C1)O

Fragrance
Ethereal	85.34%
Fruity	69.23%
Sweet	61.0%
Alcoholic	60.74%
Fermented	52.2%
Solvent	45.79%
Winey	42.21%
Cognac	40.03%
Rummy	39.34%
Green	36.0%

 

Flavor
Sweet	64.25%
Alcoholic	45.37%
Ether	43.18%
Fusel	41.95%
Alcohol	39.89%
Ethereal	38.38%
Wine	34.31%
Fruity	33.98%
Green	32.65%
Fruit	31.61%

 

Odor impact est.
High

pKa est.
7.95 (neutral)

Molecular weight
210.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
90°C

Flash point

• -3.09 ˚C est.

• SCHEMBL11086766

4-Methylphenol;1-propoxypropane is primarily encountered as an odorant and fragrance ingredient in perfumery and cosmetics, and it can also function as a solvent or processing aid in coatings, inks, and cleaning formulations; it serves as an intermediate in organic synthesis for phenolic resins and specialty polymers, and is evaluated for use in adhesives and plastics formulations, with consideration to local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2049.36
methanol	1915.78
isopropanol	1609.61
water	1.55
ethyl acetate	1310.09
n-propanol	1711.19
acetone	1472.44
n-butanol	2013.45
acetonitrile	1691.48
DMF	1052.33
toluene	1117.37
isobutanol	1330.69
1,4-dioxane	2163.46
methyl acetate	1195.68
THF	3153.73
2-butanone	1537.01
n-pentanol	1397.71
sec-butanol	1779.92
n-hexane	1816.96
ethylene glycol	272.49
NMP	1398.82
cyclohexane	2292.18
DMSO	1195.94
n-butyl acetate	2815.6
n-octanol	1276.02
chloroform	6922.98
n-propyl acetate	1351.31
acetic acid	1816.2
dichloromethane	5815.87
cyclohexanone	2544.82
propylene glycol	443.5
isopropyl acetate	857.54
DMAc	960.48
2-ethoxyethanol	1143.26
isopentanol	1588.0
n-heptane	2539.83
ethyl formate	1141.95
1,2-dichloroethane	2411.07
n-hexanol	2258.05
2-methoxyethanol	1559.19
isobutyl acetate	833.03
tetrachloromethane	2152.5
n-pentyl acetate	1384.62
transcutol	2648.36
n-heptanol	1177.31
ethylbenzene	822.83
MIBK	708.48
2-propoxyethanol	1767.82
tert-butanol	1819.22
MTBE	1626.25
2-butoxyethanol	1252.2
propionic acid	1366.77
o-xylene	680.16
formic acid	342.89
diethyl ether	1838.18
m-xylene	631.51
p-xylene	1140.57
chlorobenzene	1689.31
dimethyl carbonate	242.29
n-octane	690.59
formamide	388.01
cyclopentanone	2121.38
2-pentanone	1239.1
anisole	1051.42
cyclopentyl methyl ether	1740.32
gamma-butyrolactone	2055.68
1-methoxy-2-propanol	1136.75
pyridine	2391.7
3-pentanone	949.61
furfural	1906.5
n-dodecane	364.91
diethylene glycol	807.43
diisopropyl ether	623.24
tert-amyl alcohol	1804.49
acetylacetone	830.92
n-hexadecane	394.84
acetophenone	887.76
methyl propionate	802.41
isopentyl acetate	1946.77
trichloroethylene	4316.39
n-nonanol	1079.63
cyclohexanol	2088.35
benzyl alcohol	855.73
2-ethylhexanol	2049.68
isooctanol	957.31
dipropyl ether	2686.12
1,2-dichlorobenzene	1539.49
ethyl lactate	493.69
propylene carbonate	1416.44
n-methylformamide	753.59
2-pentanol	1471.32
n-pentane	1356.41
1-propoxy-2-propanol	1834.23
1-methoxy-2-propyl acetate	1004.05
2-(2-methoxypropoxy) propanol	826.72
mesitylene	444.99
ε-caprolactone	2159.15
p-cymene	938.13
epichlorohydrin	2308.23
1,1,1-trichloroethane	3219.62
2-aminoethanol	603.37
morpholine-4-carbaldehyde	1425.35
sulfolane	1913.39
2,2,4-trimethylpentane	462.22
2-methyltetrahydrofuran	3124.76
n-hexyl acetate	1709.9
isooctane	315.68
2-(2-butoxyethoxy)ethanol	1125.63
sec-butyl acetate	820.41
tert-butyl acetate	775.86
decalin	675.9
glycerin	470.44
diglyme	2134.0
acrylic acid	1042.4
isopropyl myristate	769.37
n-butyric acid	2208.06
acetyl acetate	740.43
di(2-ethylhexyl) phthalate	538.29
ethyl propionate	944.23
nitromethane	1562.72
1,2-diethoxyethane	1939.15
benzonitrile	1617.34
trioctyl phosphate	476.11
1-bromopropane	2909.0
gamma-valerolactone	2106.41
n-decanol	750.79
triethyl phosphate	696.88
4-methyl-2-pentanol	691.63
propionitrile	1721.8
vinylene carbonate	1281.64
1,1,2-trichlorotrifluoroethane	1773.63
DMS	623.72
cumene	612.09
2-octanol	956.73
2-hexanone	1388.66
octyl acetate	887.47
limonene	1586.74
1,2-dimethoxyethane	2244.4
ethyl orthosilicate	768.63
tributyl phosphate	646.54
diacetone alcohol	735.04
N,N-dimethylaniline	739.81
acrylonitrile	1592.4
aniline	1080.61
1,3-propanediol	983.31
bromobenzene	1914.26
dibromomethane	4758.15
1,1,2,2-tetrachloroethane	3741.46
2-methyl-cyclohexyl acetate	1216.36
tetrabutyl urea	739.98
diisobutyl methanol	1024.81
2-phenylethanol	996.2
styrene	1061.42
dioctyl adipate	989.97
dimethyl sulfate	330.87
ethyl butyrate	1933.93
methyl lactate	397.45
butyl lactate	883.7
diethyl carbonate	1117.07
propanediol butyl ether	871.94
triethyl orthoformate	1421.35
p-tert-butyltoluene	802.24
methyl 4-tert-butylbenzoate	792.51
morpholine	2485.25
tert-butylamine	1773.77
n-dodecanol	596.82
dimethoxymethane	806.1
ethylene carbonate	1144.46
cyrene	589.98
2-ethoxyethyl acetate	1028.04
2-ethylhexyl acetate	1752.75
1,2,4-trichlorobenzene	1630.16
4-methylpyridine	2270.54
dibutyl ether	2333.44
2,6-dimethyl-4-heptanol	1024.81
DEF	1272.66
dimethyl isosorbide	1246.06
tetrachloroethylene	2876.1
eugenol	760.51
triacetin	1008.37
span 80	1065.38
1,4-butanediol	507.02
1,1-dichloroethane	2918.21
2-methyl-1-pentanol	1225.76
methyl formate	568.03
2-methyl-1-butanol	1512.53
n-decane	655.87
butyronitrile	2362.67
3,7-dimethyl-1-octanol	1227.23
1-chlorooctane	1281.64
1-chlorotetradecane	506.29
n-nonane	785.97
undecane	459.07
tert-butylcyclohexane	672.63
cyclooctane	745.09
cyclopentanol	1946.13
tetrahydropyran	3398.04
tert-amyl methyl ether	1310.81
2,5,8-trioxanonane	1273.49
1-hexene	2662.54
2-isopropoxyethanol	860.34
2,2,2-trifluoroethanol	388.73
methyl butyrate	1530.31

Scent© AI