Molecular formula
C12H15N

SMILES
CC(C)CC1=CC2=CC=CC=C2N1

Fragrance
Animal	52.88%
Fruity	43.4%
Leathery	38.55%
Earthy	36.04%
Woody	34.25%
Burnt	34.18%
Vetiver	27.2%
Green	25.84%
Phenolic	24.24%
Roasted	23.51%

 

Flavor
Herbal	31.43%
Green	27.52%
Bitter	24.9%
Spice	23.32%
Woody	23.07%
Mild	21.19%
Green pepper	21.18%
Creosote	20.57%
Musty	20.56%
Thymol	20.55%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
7.46 (neutral)

Molecular weight
173.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
292°C

Flash point

• 131.84 ˚C est.

• 2-i-Butylindol
• SCHEMBL9027554

2-i-Butylindol is typically used as an odorant and fragrance ingredient in perfumery and cosmetics; it may be evaluated as an intermediate in the synthesis of indole-based compounds for pharmaceutical and specialty-chemical industries; it has potential for flavor or aroma applications in the food sector, used with appropriate regulatory controls; it serves as a building block for the synthesis of more complex indole derivatives in industrial manufacturing; and it is commonly employed as an intermediate in the development of coatings, inks, and related specialty-chemical products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	497.74
methanol	420.32
isopropanol	344.92
water	0.13
ethyl acetate	479.79
n-propanol	405.96
acetone	1162.7
n-butanol	410.59
acetonitrile	242.47
DMF	942.44
toluene	120.9
isobutanol	330.55
1,4-dioxane	1017.53
methyl acetate	487.47
THF	2170.52
2-butanone	636.19
n-pentanol	330.14
sec-butanol	295.58
n-hexane	119.44
ethylene glycol	62.59
NMP	557.92
cyclohexane	83.04
DMSO	516.56
n-butyl acetate	534.66
n-octanol	168.85
chloroform	448.8
n-propyl acetate	316.67
acetic acid	297.49
dichloromethane	343.11
cyclohexanone	748.72
propylene glycol	129.44
isopropyl acetate	328.62
DMAc	628.83
2-ethoxyethanol	374.5
isopentanol	370.42
n-heptane	59.54
ethyl formate	232.91
1,2-dichloroethane	296.09
n-hexanol	525.14
2-methoxyethanol	613.6
isobutyl acetate	306.47
tetrachloromethane	61.65
n-pentyl acetate	236.63
transcutol	1201.08
n-heptanol	165.62
ethylbenzene	81.28
MIBK	333.1
2-propoxyethanol	737.43
tert-butanol	366.1
MTBE	521.44
2-butoxyethanol	288.52
propionic acid	239.83
o-xylene	65.3
formic acid	56.87
diethyl ether	618.91
m-xylene	82.08
p-xylene	127.21
chlorobenzene	175.95
dimethyl carbonate	189.68
n-octane	24.07
formamide	91.72
cyclopentanone	1040.81
2-pentanone	607.08
anisole	218.76
cyclopentyl methyl ether	610.17
gamma-butyrolactone	851.8
1-methoxy-2-propanol	496.01
pyridine	480.1
3-pentanone	408.99
furfural	431.59
n-dodecane	20.8
diethylene glycol	370.26
diisopropyl ether	178.03
tert-amyl alcohol	282.07
acetylacetone	529.45
n-hexadecane	23.31
acetophenone	186.26
methyl propionate	417.34
isopentyl acetate	494.52
trichloroethylene	494.14
n-nonanol	154.67
cyclohexanol	288.15
benzyl alcohol	165.85
2-ethylhexanol	280.45
isooctanol	141.32
dipropyl ether	400.11
1,2-dichlorobenzene	126.64
ethyl lactate	124.19
propylene carbonate	448.08
n-methylformamide	271.38
2-pentanol	264.54
n-pentane	62.26
1-propoxy-2-propanol	460.58
1-methoxy-2-propyl acetate	409.42
2-(2-methoxypropoxy) propanol	241.74
mesitylene	50.81
ε-caprolactone	540.34
p-cymene	64.62
epichlorohydrin	756.31
1,1,1-trichloroethane	240.37
2-aminoethanol	156.03
morpholine-4-carbaldehyde	631.38
sulfolane	567.27
2,2,4-trimethylpentane	33.86
2-methyltetrahydrofuran	1021.51
n-hexyl acetate	375.46
isooctane	26.93
2-(2-butoxyethoxy)ethanol	393.5
sec-butyl acetate	240.27
tert-butyl acetate	323.04
decalin	43.65
glycerin	146.84
diglyme	646.68
acrylic acid	162.54
isopropyl myristate	151.29
n-butyric acid	428.18
acetyl acetate	238.15
di(2-ethylhexyl) phthalate	122.64
ethyl propionate	255.76
nitromethane	432.94
1,2-diethoxyethane	561.28
benzonitrile	180.47
trioctyl phosphate	99.9
1-bromopropane	237.93
gamma-valerolactone	907.24
n-decanol	124.82
triethyl phosphate	117.01
4-methyl-2-pentanol	179.81
propionitrile	222.95
vinylene carbonate	312.35
1,1,2-trichlorotrifluoroethane	293.45
DMS	264.87
cumene	69.23
2-octanol	117.71
2-hexanone	424.12
octyl acetate	194.05
limonene	115.04
1,2-dimethoxyethane	839.29
ethyl orthosilicate	122.36
tributyl phosphate	139.06
diacetone alcohol	304.27
N,N-dimethylaniline	142.48
acrylonitrile	214.73
aniline	185.19
1,3-propanediol	266.15
bromobenzene	164.87
dibromomethane	244.37
1,1,2,2-tetrachloroethane	405.66
2-methyl-cyclohexyl acetate	235.85
tetrabutyl urea	169.98
diisobutyl methanol	130.88
2-phenylethanol	228.94
styrene	103.23
dioctyl adipate	185.2
dimethyl sulfate	186.11
ethyl butyrate	281.74
methyl lactate	156.79
butyl lactate	173.57
diethyl carbonate	179.71
propanediol butyl ether	244.97
triethyl orthoformate	201.71
p-tert-butyltoluene	65.96
methyl 4-tert-butylbenzoate	150.39
morpholine	1042.73
tert-butylamine	247.49
n-dodecanol	102.23
dimethoxymethane	750.57
ethylene carbonate	300.85
cyrene	204.47
2-ethoxyethyl acetate	317.56
2-ethylhexyl acetate	364.56
1,2,4-trichlorobenzene	154.24
4-methylpyridine	425.14
dibutyl ether	329.35
2,6-dimethyl-4-heptanol	130.88
DEF	506.06
dimethyl isosorbide	390.14
tetrachloroethylene	251.67
eugenol	166.4
triacetin	235.17
span 80	237.81
1,4-butanediol	123.74
1,1-dichloroethane	291.29
2-methyl-1-pentanol	303.75
methyl formate	235.33
2-methyl-1-butanol	323.58
n-decane	33.69
butyronitrile	322.23
3,7-dimethyl-1-octanol	187.19
1-chlorooctane	117.58
1-chlorotetradecane	52.47
n-nonane	33.85
undecane	25.44
tert-butylcyclohexane	46.47
cyclooctane	28.79
cyclopentanol	343.36
tetrahydropyran	1042.64
tert-amyl methyl ether	312.47
2,5,8-trioxanonane	391.52
1-hexene	345.81
2-isopropoxyethanol	316.34
2,2,2-trifluoroethanol	76.18
methyl butyrate	361.49

Scent© AI