Molecular formula
C16H15NO

SMILES
C1=CC=C(C=C1)CC=O.C1=CC=C2C(=C1)C=CN2

Fragrance
Green	84.18%
Floral	71.68%
Sweet	69.49%
Hyacinth	63.99%
Honey	60.68%
Rose	52.69%
Almond	46.92%
Powdery	46.45%
Cocoa	43.36%
Fresh	43.19%

 

Flavor
Bitter	79.78%
Sweet	79.41%
Green	75.46%
Floral	72.1%
Hyacinth	68.7%
Honey	61.24%
Cinnamon	50.03%
Balsam	46.26%
Cocoa	44.66%
Rose	44.64%

 

Odor impact est.
High

pKa est.
6.24 (neutral)

Molecular weight
237.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
211°C

Flash point

• 83.29 ˚C est.

1H-indole;2-phenylacetaldehyde has numerous practical applications across fragrance and flavor, cosmetics and personal care, and industrial synthesis and materials; 1H-indole is used as a characteristic odor component in perfumery and cosmetic formulations, and as a versatile building block for pharmaceutical and agrochemical synthesis; 2-phenylacetaldehyde is employed as a fragrance/flavor ingredient with almond-like floral notes, and as a precursor to derivatives such as phenethyl alcohol and related compounds; both can serve as intermediates in the production of specialty chemicals for polymers, coatings, and personal-care products, depending on process conditions and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1056.7
methanol	916.97
isopropanol	612.8
water	3.0
ethyl acetate	2295.51
n-propanol	777.79
acetone	2679.8
n-butanol	545.35
acetonitrile	1997.06
DMF	2398.09
toluene	310.57
isobutanol	450.0
1,4-dioxane	2421.05
methyl acetate	1993.78
THF	2028.8
2-butanone	1724.96
n-pentanol	310.18
sec-butanol	467.09
n-hexane	43.29
ethylene glycol	334.62
NMP	1514.95
cyclohexane	77.28
DMSO	3387.67
n-butyl acetate	629.78
n-octanol	140.11
chloroform	2209.55
n-propyl acetate	655.4
acetic acid	1168.96
dichloromethane	2921.63
cyclohexanone	1549.29
propylene glycol	311.4
isopropyl acetate	698.14
DMAc	1070.0
2-ethoxyethanol	597.49
isopentanol	375.37
n-heptane	54.35
ethyl formate	846.58
1,2-dichloroethane	2386.46
n-hexanol	398.79
2-methoxyethanol	1330.37
isobutyl acetate	304.12
tetrachloromethane	226.22
n-pentyl acetate	230.86
transcutol	2666.57
n-heptanol	132.01
ethylbenzene	164.4
MIBK	465.28
2-propoxyethanol	749.83
tert-butanol	543.4
MTBE	501.49
2-butoxyethanol	334.54
propionic acid	1023.13
o-xylene	163.69
formic acid	369.54
diethyl ether	1214.4
m-xylene	184.09
p-xylene	171.85
chlorobenzene	590.48
dimethyl carbonate	605.82
n-octane	18.46
formamide	910.08
cyclopentanone	2212.64
2-pentanone	1279.38
anisole	507.78
cyclopentyl methyl ether	846.49
gamma-butyrolactone	2634.3
1-methoxy-2-propanol	873.45
pyridine	1456.46
3-pentanone	1065.95
furfural	1411.34
n-dodecane	16.55
diethylene glycol	612.51
diisopropyl ether	207.89
tert-amyl alcohol	350.18
acetylacetone	1345.63
n-hexadecane	18.91
acetophenone	388.66
methyl propionate	1636.85
isopentyl acetate	421.53
trichloroethylene	3197.71
n-nonanol	124.51
cyclohexanol	421.19
benzyl alcohol	281.24
2-ethylhexanol	196.47
isooctanol	105.18
dipropyl ether	411.93
1,2-dichlorobenzene	464.57
ethyl lactate	224.85
propylene carbonate	1010.02
n-methylformamide	1536.19
2-pentanol	340.46
n-pentane	43.61
1-propoxy-2-propanol	461.88
1-methoxy-2-propyl acetate	594.47
2-(2-methoxypropoxy) propanol	335.28
mesitylene	107.31
ε-caprolactone	1141.57
p-cymene	90.78
epichlorohydrin	2678.37
1,1,1-trichloroethane	1275.4
2-aminoethanol	492.37
morpholine-4-carbaldehyde	1462.05
sulfolane	2125.74
2,2,4-trimethylpentane	21.12
2-methyltetrahydrofuran	1525.06
n-hexyl acetate	363.11
isooctane	20.24
2-(2-butoxyethoxy)ethanol	513.53
sec-butyl acetate	342.52
tert-butyl acetate	520.57
decalin	41.45
glycerin	386.96
diglyme	1112.44
acrylic acid	832.12
isopropyl myristate	134.99
n-butyric acid	1141.77
acetyl acetate	899.57
di(2-ethylhexyl) phthalate	110.71
ethyl propionate	671.51
nitromethane	3205.79
1,2-diethoxyethane	706.58
benzonitrile	434.51
trioctyl phosphate	89.51
1-bromopropane	883.67
gamma-valerolactone	2059.0
n-decanol	95.89
triethyl phosphate	151.99
4-methyl-2-pentanol	159.54
propionitrile	1054.37
vinylene carbonate	849.53
1,1,2-trichlorotrifluoroethane	1017.5
DMS	499.71
cumene	95.12
2-octanol	82.09
2-hexanone	550.57
octyl acetate	173.75
limonene	153.01
1,2-dimethoxyethane	1072.65
ethyl orthosilicate	141.02
tributyl phosphate	120.99
diacetone alcohol	561.07
N,N-dimethylaniline	223.62
acrylonitrile	1369.41
aniline	439.95
1,3-propanediol	616.01
bromobenzene	620.0
dibromomethane	1525.93
1,1,2,2-tetrachloroethane	2050.76
2-methyl-cyclohexyl acetate	239.44
tetrabutyl urea	156.35
diisobutyl methanol	119.78
2-phenylethanol	291.86
styrene	242.76
dioctyl adipate	208.24
dimethyl sulfate	816.43
ethyl butyrate	477.25
methyl lactate	444.37
butyl lactate	188.96
diethyl carbonate	301.09
propanediol butyl ether	292.91
triethyl orthoformate	233.93
p-tert-butyltoluene	84.44
methyl 4-tert-butylbenzoate	263.9
morpholine	2248.24
tert-butylamine	283.78
n-dodecanol	75.22
dimethoxymethane	1433.48
ethylene carbonate	759.56
cyrene	273.55
2-ethoxyethyl acetate	461.56
2-ethylhexyl acetate	309.53
1,2,4-trichlorobenzene	514.83
4-methylpyridine	923.95
dibutyl ether	249.78
2,6-dimethyl-4-heptanol	119.78
DEF	1201.68
dimethyl isosorbide	535.5
tetrachloroethylene	1191.94
eugenol	257.98
triacetin	392.97
span 80	259.32
1,4-butanediol	206.58
1,1-dichloroethane	1791.61
2-methyl-1-pentanol	231.53
methyl formate	1199.44
2-methyl-1-butanol	350.4
n-decane	25.53
butyronitrile	761.93
3,7-dimethyl-1-octanol	145.3
1-chlorooctane	120.53
1-chlorotetradecane	50.42
n-nonane	25.23
undecane	20.43
tert-butylcyclohexane	36.31
cyclooctane	25.67
cyclopentanol	584.35
tetrahydropyran	1804.29
tert-amyl methyl ether	331.19
2,5,8-trioxanonane	655.3
1-hexene	214.48
2-isopropoxyethanol	379.91
2,2,2-trifluoroethanol	410.86
methyl butyrate	807.48

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