Molecular formula
C12H16O

SMILES
CC(CC=O)C(C)C1=CC=CC=C1

Fragrance
Green	86.7%
Floral	70.78%
Aldehydic	55.16%
Fresh	54.97%
Muguet	50.57%
Lily	47.31%
Woody	42.53%
Leafy	39.67%
Ozone	36.73%
Herbal	35.04%

 

Flavor
Green	79.29%
Fresh	53.08%
Floral	51.95%
Waxy	44.82%
Herbal	35.61%
Leaf	32.94%
Citrus	30.34%
Bitter	30.11%
Sweet	29.26%
Oily	28.28%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
7.08 (neutral)

Molecular weight
176.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
250°C

Flash point

• 114.81 ˚C est.

• SCHEMBL5534215

3-Methyl-4-phenylpentanal is an aromatic aldehyde primarily used as a fragrance ingredient and a synthetic intermediate in the fragrance industry; it is also employed as a scent additive in cosmetics and personal care products, may be evaluated for flavor/aroma applications in the food and beverage sector, serves as an intermediate for the synthesis of specialty compounds used in polymers and plastics, and is used as a fragrance additive for coatings and inks, as well as a scent component in household cleaning products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2839.85
methanol	2807.93
isopropanol	1905.58
water	0.55
ethyl acetate	4725.75
n-propanol	2563.0
acetone	5613.37
n-butanol	1604.12
acetonitrile	5339.65
DMF	3660.98
toluene	1320.76
isobutanol	1351.35
1,4-dioxane	5097.23
methyl acetate	4129.74
THF	4051.74
2-butanone	4392.43
n-pentanol	975.24
sec-butanol	1297.17
n-hexane	148.3
ethylene glycol	321.28
NMP	2371.6
cyclohexane	212.44
DMSO	5074.77
n-butyl acetate	1990.63
n-octanol	238.71
chloroform	5776.4
n-propyl acetate	1891.68
acetic acid	1371.31
dichloromethane	6980.87
cyclohexanone	3833.72
propylene glycol	449.97
isopropyl acetate	1724.52
DMAc	1649.05
2-ethoxyethanol	1528.0
isopentanol	1175.76
n-heptane	57.66
ethyl formate	1822.46
1,2-dichloroethane	6381.37
n-hexanol	1088.38
2-methoxyethanol	2701.82
isobutyl acetate	838.85
tetrachloromethane	698.43
n-pentyl acetate	581.82
transcutol	5080.39
n-heptanol	277.91
ethylbenzene	557.21
MIBK	1134.42
2-propoxyethanol	1883.89
tert-butanol	1834.64
MTBE	2211.69
2-butoxyethanol	621.38
propionic acid	1856.4
o-xylene	542.95
formic acid	384.2
diethyl ether	3666.22
m-xylene	705.17
p-xylene	566.2
chlorobenzene	1923.37
dimethyl carbonate	855.22
n-octane	21.13
formamide	1164.59
cyclopentanone	4345.24
2-pentanone	3020.71
anisole	1283.34
cyclopentyl methyl ether	2329.21
gamma-butyrolactone	4641.12
1-methoxy-2-propanol	1851.89
pyridine	3513.89
3-pentanone	2443.04
furfural	2591.8
n-dodecane	13.63
diethylene glycol	1018.26
diisopropyl ether	584.72
tert-amyl alcohol	1157.42
acetylacetone	2367.5
n-hexadecane	16.71
acetophenone	885.48
methyl propionate	3363.91
isopentyl acetate	1385.01
trichloroethylene	7949.8
n-nonanol	201.9
cyclohexanol	1315.92
benzyl alcohol	790.39
2-ethylhexanol	513.04
isooctanol	227.91
dipropyl ether	958.22
1,2-dichlorobenzene	1303.48
ethyl lactate	425.87
propylene carbonate	1872.36
n-methylformamide	3087.36
2-pentanol	991.78
n-pentane	98.95
1-propoxy-2-propanol	1257.62
1-methoxy-2-propyl acetate	1639.86
2-(2-methoxypropoxy) propanol	546.12
mesitylene	353.59
ε-caprolactone	2856.23
p-cymene	211.59
epichlorohydrin	5923.6
1,1,1-trichloroethane	3692.25
2-aminoethanol	875.01
morpholine-4-carbaldehyde	2460.42
sulfolane	4053.52
2,2,4-trimethylpentane	50.48
2-methyltetrahydrofuran	3798.87
n-hexyl acetate	768.12
isooctane	46.69
2-(2-butoxyethoxy)ethanol	917.71
sec-butyl acetate	1007.36
tert-butyl acetate	1442.56
decalin	99.45
glycerin	461.55
diglyme	2099.74
acrylic acid	1259.46
isopropyl myristate	236.66
n-butyric acid	2362.99
acetyl acetate	1302.88
di(2-ethylhexyl) phthalate	195.68
ethyl propionate	1712.59
nitromethane	4636.13
1,2-diethoxyethane	1998.63
benzonitrile	1285.96
trioctyl phosphate	144.65
1-bromopropane	2667.96
gamma-valerolactone	4331.95
n-decanol	150.37
triethyl phosphate	298.64
4-methyl-2-pentanol	430.78
propionitrile	2925.17
vinylene carbonate	1567.92
1,1,2-trichlorotrifluoroethane	1925.5
DMS	791.8
cumene	282.16
2-octanol	175.09
2-hexanone	1761.25
octyl acetate	306.2
limonene	326.5
1,2-dimethoxyethane	2631.96
ethyl orthosilicate	295.96
tributyl phosphate	218.38
diacetone alcohol	1282.23
N,N-dimethylaniline	539.58
acrylonitrile	3237.15
aniline	1653.75
1,3-propanediol	1188.78
bromobenzene	1964.08
dibromomethane	4311.19
1,1,2,2-tetrachloroethane	5374.72
2-methyl-cyclohexyl acetate	557.76
tetrabutyl urea	246.5
diisobutyl methanol	263.66
2-phenylethanol	756.07
styrene	809.83
dioctyl adipate	346.19
dimethyl sulfate	1025.38
ethyl butyrate	1157.17
methyl lactate	650.33
butyl lactate	428.19
diethyl carbonate	647.96
propanediol butyl ether	496.82
triethyl orthoformate	560.65
p-tert-butyltoluene	195.7
methyl 4-tert-butylbenzoate	440.82
morpholine	5919.04
tert-butylamine	1012.32
n-dodecanol	108.62
dimethoxymethane	2531.79
ethylene carbonate	1495.65
cyrene	468.63
2-ethoxyethyl acetate	1051.56
2-ethylhexyl acetate	977.5
1,2,4-trichlorobenzene	1406.85
4-methylpyridine	3200.46
dibutyl ether	558.66
2,6-dimethyl-4-heptanol	263.66
DEF	2997.53
dimethyl isosorbide	1023.53
tetrachloroethylene	3236.69
eugenol	456.69
triacetin	599.45
span 80	407.1
1,4-butanediol	377.88
1,1-dichloroethane	5326.13
2-methyl-1-pentanol	727.64
methyl formate	1907.26
2-methyl-1-butanol	1090.15
n-decane	26.31
butyronitrile	2298.1
3,7-dimethyl-1-octanol	296.97
1-chlorooctane	206.63
1-chlorotetradecane	63.75
n-nonane	26.42
undecane	18.41
tert-butylcyclohexane	92.04
cyclooctane	60.24
cyclopentanol	1380.65
tetrahydropyran	4844.15
tert-amyl methyl ether	1107.37
2,5,8-trioxanonane	1034.81
1-hexene	842.68
2-isopropoxyethanol	1004.17
2,2,2-trifluoroethanol	467.5
methyl butyrate	2199.0

Scent© AI