Molecular formula
C9H10O2

SMILES
CCC(=CC1=CC=CO1)C=O

Fragrance
Spicy	74.78%
Nutty	57.73%
Caramellic	49.32%
Herbal	44.1%
Woody	42.8%
Roasted	38.84%
Cinnamon	37.29%
Warm	36.03%
Burnt	35.72%
Coffee	29.23%

 

Flavor
Woody	42.44%
Herbal	40.66%
Spice	39.81%
Spicy	31.68%
Nutty	27.79%
Oily	27.64%
Caramel	23.91%
Cinnamon	23.48%
Sweet	21.7%
Furfural	20.54%

 

Odor impact est.
Medium

XLogP3-AA
2.0

pKa est.
6.44 (neutral)

Molecular weight
150.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
228°C

Flash point

• 90.51 ˚C est.

• SCHEMBL996259
• DTXSID60862409
• UCPFCQBLYDXPTR-UHFFFAOYSA-N
• AKOS017404941
• DB-275138

2-(Furan-2-ylmethylidene)butanal is primarily used as a chemical intermediate in specialty syntheses, notably as a building block in fragrance and flavor chemistry; it is also evaluated as an intermediate for cosmetics and personal-care formulations as a fragrance precursor. In industrial manufacturing, it may serve as a precursor for resin and polymer chemistry, including coatings, inks, and adhesive systems, and it is explored for use in polymer science and material development. It can also appear in pharmaceutical synthesis as part of complex multi-step routes, depending on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	310.62
methanol	338.44
isopropanol	227.13
water	3.28
ethyl acetate	209.24
n-propanol	248.11
acetone	361.42
n-butanol	224.88
acetonitrile	417.86
DMF	859.52
toluene	205.92
isobutanol	204.42
1,4-dioxane	354.05
methyl acetate	330.9
THF	349.3
2-butanone	345.28
n-pentanol	168.11
sec-butanol	241.31
n-hexane	13.29
ethylene glycol	113.48
NMP	470.12
cyclohexane	40.77
DMSO	692.12
n-butyl acetate	160.66
n-octanol	116.85
chloroform	1043.73
n-propyl acetate	152.13
acetic acid	256.31
dichloromethane	1282.36
cyclohexanone	401.88
propylene glycol	129.64
isopropyl acetate	109.1
DMAc	720.41
2-ethoxyethanol	222.03
isopentanol	180.41
n-heptane	20.64
ethyl formate	261.0
1,2-dichloroethane	553.64
n-hexanol	158.0
2-methoxyethanol	345.11
isobutyl acetate	95.84
tetrachloromethane	118.25
n-pentyl acetate	102.73
transcutol	541.93
n-heptanol	93.76
ethylbenzene	134.89
MIBK	133.12
2-propoxyethanol	221.89
tert-butanol	258.33
MTBE	158.4
2-butoxyethanol	150.73
propionic acid	246.23
o-xylene	156.75
formic acid	86.34
diethyl ether	129.74
m-xylene	141.91
p-xylene	177.41
chlorobenzene	282.73
dimethyl carbonate	132.59
n-octane	12.79
formamide	198.42
cyclopentanone	398.54
2-pentanone	196.13
anisole	261.46
cyclopentyl methyl ether	147.48
gamma-butyrolactone	421.47
1-methoxy-2-propanol	244.93
pyridine	510.62
3-pentanone	180.62
furfural	502.53
n-dodecane	16.89
diethylene glycol	189.99
diisopropyl ether	45.19
tert-amyl alcohol	234.81
acetylacetone	227.36
n-hexadecane	18.81
acetophenone	245.2
methyl propionate	201.36
isopentyl acetate	143.66
trichloroethylene	1008.82
n-nonanol	97.62
cyclohexanol	200.65
benzyl alcohol	219.41
2-ethylhexanol	107.62
isooctanol	77.53
dipropyl ether	96.26
1,2-dichlorobenzene	263.28
ethyl lactate	110.19
propylene carbonate	280.01
n-methylformamide	336.24
2-pentanol	137.21
n-pentane	16.8
1-propoxy-2-propanol	165.78
1-methoxy-2-propyl acetate	156.74
2-(2-methoxypropoxy) propanol	191.71
mesitylene	86.25
ε-caprolactone	283.86
p-cymene	85.57
epichlorohydrin	515.33
1,1,1-trichloroethane	448.71
2-aminoethanol	183.71
morpholine-4-carbaldehyde	429.29
sulfolane	515.06
2,2,4-trimethylpentane	17.13
2-methyltetrahydrofuran	264.16
n-hexyl acetate	169.46
isooctane	13.0
2-(2-butoxyethoxy)ethanol	220.76
sec-butyl acetate	99.32
tert-butyl acetate	118.91
decalin	29.37
glycerin	160.91
diglyme	408.25
acrylic acid	238.48
isopropyl myristate	87.55
n-butyric acid	248.61
acetyl acetate	143.68
di(2-ethylhexyl) phthalate	93.19
ethyl propionate	141.1
nitromethane	466.25
1,2-diethoxyethane	165.66
benzonitrile	325.9
trioctyl phosphate	63.33
1-bromopropane	279.03
gamma-valerolactone	419.4
n-decanol	80.16
triethyl phosphate	89.72
4-methyl-2-pentanol	81.91
propionitrile	331.36
vinylene carbonate	316.6
1,1,2-trichlorotrifluoroethane	336.63
DMS	170.14
cumene	91.26
2-octanol	71.54
2-hexanone	166.82
octyl acetate	107.43
limonene	112.83
1,2-dimethoxyethane	386.12
ethyl orthosilicate	79.4
tributyl phosphate	77.97
diacetone alcohol	175.72
N,N-dimethylaniline	186.15
acrylonitrile	480.27
aniline	235.93
1,3-propanediol	211.63
bromobenzene	319.84
dibromomethane	739.31
1,1,2,2-tetrachloroethane	662.96
2-methyl-cyclohexyl acetate	125.0
tetrabutyl urea	116.38
diisobutyl methanol	72.78
2-phenylethanol	173.19
styrene	175.73
dioctyl adipate	129.77
dimethyl sulfate	206.78
ethyl butyrate	148.94
methyl lactate	136.24
butyl lactate	102.16
diethyl carbonate	136.16
propanediol butyl ether	151.17
triethyl orthoformate	102.92
p-tert-butyltoluene	78.33
methyl 4-tert-butylbenzoate	187.31
morpholine	366.11
tert-butylamine	161.94
n-dodecanol	69.03
dimethoxymethane	294.5
ethylene carbonate	231.63
cyrene	180.54
2-ethoxyethyl acetate	142.16
2-ethylhexyl acetate	111.93
1,2,4-trichlorobenzene	299.03
4-methylpyridine	451.83
dibutyl ether	113.72
2,6-dimethyl-4-heptanol	72.78
DEF	304.64
dimethyl isosorbide	257.8
tetrachloroethylene	398.03
eugenol	183.82
triacetin	185.43
span 80	156.72
1,4-butanediol	109.14
1,1-dichloroethane	559.05
2-methyl-1-pentanol	148.24
methyl formate	283.98
2-methyl-1-butanol	189.64
n-decane	22.89
butyronitrile	285.29
3,7-dimethyl-1-octanol	113.94
1-chlorooctane	84.6
1-chlorotetradecane	43.99
n-nonane	21.29
undecane	19.11
tert-butylcyclohexane	26.64
cyclooctane	12.78
cyclopentanol	203.97
tetrahydropyran	255.75
tert-amyl methyl ether	127.79
2,5,8-trioxanonane	312.44
1-hexene	68.32
2-isopropoxyethanol	160.85
2,2,2-trifluoroethanol	109.96
methyl butyrate	221.21

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