Molecular formula
C9H13NO

SMILES
CC(C)C=NCC1=CC=CO1

Fragrance
Green	86.62%
Floral	70.06%
Aldehydic	42.26%
Fresh	37.35%
Leafy	36.68%
Vegetable	36.53%
Muguet	30.96%
Cortex	28.94%
Metallic	28.78%
Lily	26.72%

 

Flavor
Green	55.48%
Roasted	30.8%
Earthy	30.05%
Vegetable	28.23%
Herbal	25.94%
Metallic	23.45%
Oily	23.4%
Tropical	22.98%
Meaty	22.2%
Tomato	21.93%

 

Odor impact est.
High

XLogP3-AA
1.6

pKa est.
5.59 (weak acid)

Molecular weight
151.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
213°C

Flash point

• 76.5 ˚C est.

• isobutylidene furfurylamine
• SCHEMBL9808500

Isobutylidene furfurylamine is commonly considered an important intermediate in the synthesis of fragrance compounds and flavor precursors; it is often used as a building block for pharmaceutical synthesis; it can serve as a versatile precursor in polymers and plastics and related resin systems through amination and functionalization; in coatings and inks it can act as a reactive amine for crosslinking or as a step in curing formulations; it is used in agrochemical research as a starting material for synthesis of active ingredients; and it is explored as a precursor for specialty monomers and advanced materials for electronics and other high-tech applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	955.91
methanol	955.29
isopropanol	514.97
water	2.02
ethyl acetate	651.45
n-propanol	566.04
acetone	792.38
n-butanol	581.89
acetonitrile	432.35
DMF	669.97
toluene	330.63
isobutanol	420.16
1,4-dioxane	1026.2
methyl acetate	513.13
THF	1332.73
2-butanone	532.09
n-pentanol	355.21
sec-butanol	415.9
n-hexane	88.57
ethylene glycol	252.94
NMP	639.33
cyclohexane	184.41
DMSO	843.41
n-butyl acetate	521.62
n-octanol	222.55
chloroform	2014.78
n-propyl acetate	307.59
acetic acid	1277.21
dichloromethane	1590.65
cyclohexanone	743.64
propylene glycol	344.33
isopropyl acetate	364.0
DMAc	640.03
2-ethoxyethanol	522.2
isopentanol	499.96
n-heptane	71.62
ethyl formate	364.2
1,2-dichloroethane	907.42
n-hexanol	508.33
2-methoxyethanol	900.77
isobutyl acetate	237.27
tetrachloromethane	284.62
n-pentyl acetate	241.73
transcutol	2132.94
n-heptanol	193.78
ethylbenzene	148.28
MIBK	293.91
2-propoxyethanol	741.98
tert-butanol	639.81
MTBE	601.22
2-butoxyethanol	371.64
propionic acid	533.32
o-xylene	197.47
formic acid	362.51
diethyl ether	637.25
m-xylene	219.72
p-xylene	212.86
chlorobenzene	466.58
dimethyl carbonate	199.5
n-octane	24.43
formamide	336.19
cyclopentanone	782.1
2-pentanone	461.76
anisole	339.45
cyclopentyl methyl ether	627.59
gamma-butyrolactone	803.63
1-methoxy-2-propanol	614.82
pyridine	721.77
3-pentanone	343.18
furfural	724.63
n-dodecane	26.02
diethylene glycol	610.28
diisopropyl ether	180.97
tert-amyl alcohol	498.56
acetylacetone	510.06
n-hexadecane	29.41
acetophenone	288.08
methyl propionate	414.48
isopentyl acetate	464.53
trichloroethylene	1799.51
n-nonanol	198.37
cyclohexanol	541.36
benzyl alcohol	303.67
2-ethylhexanol	301.62
isooctanol	159.48
dipropyl ether	340.56
1,2-dichlorobenzene	398.7
ethyl lactate	170.05
propylene carbonate	553.51
n-methylformamide	315.57
2-pentanol	383.74
n-pentane	90.31
1-propoxy-2-propanol	523.46
1-methoxy-2-propyl acetate	484.54
2-(2-methoxypropoxy) propanol	397.14
mesitylene	141.92
ε-caprolactone	606.58
p-cymene	132.58
epichlorohydrin	1052.24
1,1,1-trichloroethane	883.89
2-aminoethanol	423.37
morpholine-4-carbaldehyde	750.98
sulfolane	823.67
2,2,4-trimethylpentane	65.9
2-methyltetrahydrofuran	984.97
n-hexyl acetate	391.78
isooctane	46.5
2-(2-butoxyethoxy)ethanol	563.6
sec-butyl acetate	231.11
tert-butyl acetate	385.61
decalin	75.78
glycerin	434.75
diglyme	899.09
acrylic acid	498.24
isopropyl myristate	157.65
n-butyric acid	821.73
acetyl acetate	455.43
di(2-ethylhexyl) phthalate	176.87
ethyl propionate	258.06
nitromethane	887.31
1,2-diethoxyethane	617.15
benzonitrile	348.12
trioctyl phosphate	115.95
1-bromopropane	550.4
gamma-valerolactone	861.48
n-decanol	145.8
triethyl phosphate	148.75
4-methyl-2-pentanol	213.99
propionitrile	308.81
vinylene carbonate	493.54
1,1,2-trichlorotrifluoroethane	936.01
DMS	327.04
cumene	114.52
2-octanol	126.75
2-hexanone	318.35
octyl acetate	201.29
limonene	224.75
1,2-dimethoxyethane	737.43
ethyl orthosilicate	157.29
tributyl phosphate	155.64
diacetone alcohol	412.24
N,N-dimethylaniline	226.83
acrylonitrile	337.98
aniline	414.18
1,3-propanediol	536.44
bromobenzene	513.6
dibromomethane	1099.97
1,1,2,2-tetrachloroethane	1427.83
2-methyl-cyclohexyl acetate	278.89
tetrabutyl urea	175.23
diisobutyl methanol	169.27
2-phenylethanol	356.69
styrene	212.52
dioctyl adipate	241.13
dimethyl sulfate	270.74
ethyl butyrate	299.77
methyl lactate	246.33
butyl lactate	213.4
diethyl carbonate	215.35
propanediol butyl ether	396.83
triethyl orthoformate	239.22
p-tert-butyltoluene	128.32
methyl 4-tert-butylbenzoate	272.86
morpholine	1148.09
tert-butylamine	418.87
n-dodecanol	113.8
dimethoxymethane	504.42
ethylene carbonate	415.86
cyrene	295.71
2-ethoxyethyl acetate	379.5
2-ethylhexyl acetate	357.91
1,2,4-trichlorobenzene	493.89
4-methylpyridine	633.08
dibutyl ether	296.94
2,6-dimethyl-4-heptanol	169.27
DEF	453.75
dimethyl isosorbide	524.21
tetrachloroethylene	940.57
eugenol	273.25
triacetin	376.92
span 80	357.19
1,4-butanediol	221.81
1,1-dichloroethane	897.63
2-methyl-1-pentanol	334.1
methyl formate	287.46
2-methyl-1-butanol	436.84
n-decane	40.09
butyronitrile	406.29
3,7-dimethyl-1-octanol	238.34
1-chlorooctane	162.22
1-chlorotetradecane	70.42
n-nonane	38.29
undecane	31.31
tert-butylcyclohexane	71.12
cyclooctane	55.84
cyclopentanol	484.86
tetrahydropyran	1013.38
tert-amyl methyl ether	386.39
2,5,8-trioxanonane	602.27
1-hexene	252.99
2-isopropoxyethanol	363.2
2,2,2-trifluoroethanol	343.58
methyl butyrate	337.96

Scent© AI