Molecular formula
C12H15N

SMILES
CC(C)CC1=CNC2=CC=CC=C21

Fragrance
Animal	52.88%
Fruity	44.31%
Earthy	41.02%
Leathery	39.34%
Green	31.48%
Burnt	30.53%
Vetiver	28.46%
Woody	27.18%
Herbal	23.49%
Musty	23.38%

 

Flavor
Herbal	33.63%
Green	26.25%
Bitter	24.59%
Woody	24.53%
Spice	23.48%
Wood	21.3%
Green pepper	21.23%
Musty	21.12%
Creosote	20.98%
Syrup	20.67%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
7.14 (neutral)

Molecular weight
173.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
295°C

Flash point

• 140.09 ˚C est.

• SCHEMBL827572

3-(2-methylpropyl)-1H-indole is an indole derivative that can function as a fragrance ingredient or odorant in the perfumery and cosmetics sectors, and may also be considered as a flavor precursor in certain aroma formulations. It serves as an intermediate in organic synthesis for industrial manufacturing, including routes to building blocks for pharmaceutical and agrochemical products. In cosmetics and personal care, it can act as a fragrance component or scent modifier; in household products, it may contribute to long-lasting odor profiles, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	392.22
methanol	295.46
isopropanol	273.89
water	0.07
ethyl acetate	397.84
n-propanol	342.19
acetone	822.99
n-butanol	361.35
acetonitrile	169.21
DMF	895.58
toluene	98.35
isobutanol	280.04
1,4-dioxane	626.54
methyl acetate	389.45
THF	1510.64
2-butanone	573.77
n-pentanol	271.14
sec-butanol	254.8
n-hexane	45.25
ethylene glycol	45.59
NMP	367.86
cyclohexane	32.65
DMSO	331.47
n-butyl acetate	446.59
n-octanol	125.93
chloroform	364.13
n-propyl acetate	266.33
acetic acid	141.68
dichloromethane	320.01
cyclohexanone	547.02
propylene glycol	89.62
isopropyl acetate	260.65
DMAc	521.11
2-ethoxyethanol	318.54
isopentanol	303.94
n-heptane	29.53
ethyl formate	212.29
1,2-dichloroethane	267.29
n-hexanol	418.12
2-methoxyethanol	490.12
isobutyl acetate	257.11
tetrachloromethane	48.18
n-pentyl acetate	189.89
transcutol	638.38
n-heptanol	139.91
ethylbenzene	76.37
MIBK	282.2
2-propoxyethanol	568.7
tert-butanol	290.16
MTBE	393.47
2-butoxyethanol	225.63
propionic acid	154.2
o-xylene	57.05
formic acid	28.7
diethyl ether	424.86
m-xylene	72.84
p-xylene	106.0
chlorobenzene	143.86
dimethyl carbonate	148.82
n-octane	15.03
formamide	52.18
cyclopentanone	794.55
2-pentanone	546.48
anisole	181.03
cyclopentyl methyl ether	425.87
gamma-butyrolactone	598.52
1-methoxy-2-propanol	420.31
pyridine	349.31
3-pentanone	345.4
furfural	320.79
n-dodecane	12.66
diethylene glycol	281.37
diisopropyl ether	112.66
tert-amyl alcohol	233.5
acetylacetone	390.28
n-hexadecane	14.11
acetophenone	161.34
methyl propionate	355.75
isopentyl acetate	403.46
trichloroethylene	439.81
n-nonanol	110.27
cyclohexanol	185.09
benzyl alcohol	141.04
2-ethylhexanol	214.96
isooctanol	113.71
dipropyl ether	268.55
1,2-dichlorobenzene	103.62
ethyl lactate	107.68
propylene carbonate	325.3
n-methylformamide	237.23
2-pentanol	227.1
n-pentane	30.32
1-propoxy-2-propanol	369.78
1-methoxy-2-propyl acetate	320.86
2-(2-methoxypropoxy) propanol	159.97
mesitylene	43.81
ε-caprolactone	374.65
p-cymene	58.69
epichlorohydrin	597.67
1,1,1-trichloroethane	200.89
2-aminoethanol	114.67
morpholine-4-carbaldehyde	428.26
sulfolane	405.04
2,2,4-trimethylpentane	19.44
2-methyltetrahydrofuran	718.11
n-hexyl acetate	257.63
isooctane	16.72
2-(2-butoxyethoxy)ethanol	256.5
sec-butyl acetate	197.65
tert-butyl acetate	249.66
decalin	23.11
glycerin	92.26
diglyme	417.18
acrylic acid	101.23
isopropyl myristate	100.04
n-butyric acid	299.06
acetyl acetate	153.38
di(2-ethylhexyl) phthalate	82.03
ethyl propionate	215.93
nitromethane	254.4
1,2-diethoxyethane	372.14
benzonitrile	146.93
trioctyl phosphate	67.1
1-bromopropane	216.09
gamma-valerolactone	680.92
n-decanol	89.42
triethyl phosphate	85.28
4-methyl-2-pentanol	149.04
propionitrile	204.52
vinylene carbonate	236.6
1,1,2-trichlorotrifluoroethane	200.89
DMS	172.29
cumene	62.51
2-octanol	94.53
2-hexanone	331.6
octyl acetate	130.74
limonene	90.45
1,2-dimethoxyethane	619.74
ethyl orthosilicate	91.62
tributyl phosphate	86.78
diacetone alcohol	246.66
N,N-dimethylaniline	114.92
acrylonitrile	198.15
aniline	129.88
1,3-propanediol	203.54
bromobenzene	139.22
dibromomethane	229.84
1,1,2,2-tetrachloroethane	320.16
2-methyl-cyclohexyl acetate	168.27
tetrabutyl urea	112.42
diisobutyl methanol	97.14
2-phenylethanol	187.33
styrene	90.02
dioctyl adipate	112.8
dimethyl sulfate	138.83
ethyl butyrate	226.7
methyl lactate	125.72
butyl lactate	138.94
diethyl carbonate	134.59
propanediol butyl ether	171.09
triethyl orthoformate	142.63
p-tert-butyltoluene	58.27
methyl 4-tert-butylbenzoate	115.92
morpholine	684.47
tert-butylamine	184.99
n-dodecanol	72.29
dimethoxymethane	633.01
ethylene carbonate	210.79
cyrene	151.49
2-ethoxyethyl acetate	253.78
2-ethylhexyl acetate	290.46
1,2,4-trichlorobenzene	114.6
4-methylpyridine	326.92
dibutyl ether	190.34
2,6-dimethyl-4-heptanol	97.14
DEF	399.24
dimethyl isosorbide	268.03
tetrachloroethylene	201.47
eugenol	128.8
triacetin	146.13
span 80	148.45
1,4-butanediol	99.11
1,1-dichloroethane	281.6
2-methyl-1-pentanol	242.5
methyl formate	200.2
2-methyl-1-butanol	267.16
n-decane	19.59
butyronitrile	290.42
3,7-dimethyl-1-octanol	128.97
1-chlorooctane	80.16
1-chlorotetradecane	35.08
n-nonane	19.09
undecane	15.28
tert-butylcyclohexane	25.34
cyclooctane	12.39
cyclopentanol	234.67
tetrahydropyran	665.07
tert-amyl methyl ether	243.31
2,5,8-trioxanonane	252.68
1-hexene	203.97
2-isopropoxyethanol	257.38
2,2,2-trifluoroethanol	41.44
methyl butyrate	315.83

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