Molecular formula
C4H5NO

SMILES
CC=CN=C=O

Fragrance
Pungent	80.19%
Green	61.34%
Radish	56.7%
Sharp	35.77%
Alliaceous	31.1%
Vegetable	29.51%
Spicy	28.53%
Fruity	24.7%
Nutty	23.34%
Garlic	21.5%

 

Flavor
Pungent	55.26%
Mustard	49.72%
Bitter	39.87%
Horseradish	37.16%
Sulfur	30.93%
Garlic	26.19%
Formyl	23.83%
Strong	23.46%
Nutty	23.04%
Nitrile	21.72%

 

Odor impact est.
Low

XLogP3-AA
1.9

pKa est.
7.17 (neutral)

Molecular weight
83.09 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
82°C

Flash point

• 0.56 ˚C est.

• methylvinylisocyanate
• 1-Isocyanato-1-propene
• DTXSID001318959
• NS00045572

1-Isocyanato-1-propene is primarily used as a reactive monomer and intermediate in polyurethane and related polymer systems. It participates in polymer synthesis by supplying the isocyanate group (–NCO) that forms urea linkages with amines or urethanes with hydroxyl groups, making it useful in coatings, adhesives, and sealants as well as elastomeric and specialty polymers. It is also employed as a functional monomer to prepare polymers with pendant NCO functionality for enhanced crosslinking and adhesion, and may be used in UV-curable coatings or specialty resins. Additionally, it can serve as an intermediate for broader polymer synthesis and copolymerization to enable surface modification or adhesion-promoting formulations in industrial polymers. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	109.08
methanol	145.5
isopropanol	79.55
water	0.82
ethyl acetate	58.66
n-propanol	79.68
acetone	119.3
n-butanol	78.73
acetonitrile	60.93
DMF	490.2
toluene	45.03
isobutanol	64.13
1,4-dioxane	90.67
methyl acetate	75.89
THF	158.67
2-butanone	86.83
n-pentanol	64.29
sec-butanol	73.36
n-hexane	13.81
ethylene glycol	59.61
NMP	326.26
cyclohexane	13.25
DMSO	298.18
n-butyl acetate	72.25
n-octanol	60.31
chloroform	158.69
n-propyl acetate	44.63
acetic acid	121.99
dichloromethane	158.32
cyclohexanone	117.43
propylene glycol	65.85
isopropyl acetate	40.74
DMAc	281.78
2-ethoxyethanol	92.48
isopentanol	72.74
n-heptane	10.92
ethyl formate	69.82
1,2-dichloroethane	119.69
n-hexanol	76.46
2-methoxyethanol	177.01
isobutyl acetate	31.61
tetrachloromethane	23.11
n-pentyl acetate	54.06
transcutol	340.69
n-heptanol	46.26
ethylbenzene	34.31
MIBK	52.98
2-propoxyethanol	124.73
tert-butanol	89.86
MTBE	71.21
2-butoxyethanol	88.97
propionic acid	80.99
o-xylene	41.81
formic acid	64.57
diethyl ether	48.31
m-xylene	39.87
p-xylene	41.07
chlorobenzene	81.3
dimethyl carbonate	51.63
n-octane	6.64
formamide	77.58
cyclopentanone	152.51
2-pentanone	73.1
anisole	65.78
cyclopentyl methyl ether	73.73
gamma-butyrolactone	160.03
1-methoxy-2-propanol	137.46
pyridine	117.98
3-pentanone	51.38
furfural	220.36
n-dodecane	6.95
diethylene glycol	117.68
diisopropyl ether	20.07
tert-amyl alcohol	87.86
acetylacetone	86.21
n-hexadecane	7.68
acetophenone	70.84
methyl propionate	71.61
isopentyl acetate	68.69
trichloroethylene	237.26
n-nonanol	50.9
cyclohexanol	67.79
benzyl alcohol	63.78
2-ethylhexanol	53.97
isooctanol	38.02
dipropyl ether	38.76
1,2-dichlorobenzene	83.82
ethyl lactate	47.16
propylene carbonate	105.19
n-methylformamide	153.97
2-pentanol	56.86
n-pentane	13.08
1-propoxy-2-propanol	100.85
1-methoxy-2-propyl acetate	78.9
2-(2-methoxypropoxy) propanol	110.25
mesitylene	29.32
ε-caprolactone	110.39
p-cymene	29.6
epichlorohydrin	171.03
1,1,1-trichloroethane	86.99
2-aminoethanol	79.27
morpholine-4-carbaldehyde	226.07
sulfolane	249.42
2,2,4-trimethylpentane	10.29
2-methyltetrahydrofuran	101.23
n-hexyl acetate	88.79
isooctane	8.03
2-(2-butoxyethoxy)ethanol	139.38
sec-butyl acetate	32.49
tert-butyl acetate	54.02
decalin	12.75
glycerin	89.55
diglyme	210.54
acrylic acid	97.69
isopropyl myristate	35.29
n-butyric acid	92.42
acetyl acetate	41.47
di(2-ethylhexyl) phthalate	47.46
ethyl propionate	43.65
nitromethane	177.86
1,2-diethoxyethane	81.63
benzonitrile	88.96
trioctyl phosphate	34.74
1-bromopropane	70.82
gamma-valerolactone	196.21
n-decanol	39.07
triethyl phosphate	33.98
4-methyl-2-pentanol	40.35
propionitrile	60.56
vinylene carbonate	116.8
1,1,2-trichlorotrifluoroethane	170.72
DMS	75.36
cumene	28.39
2-octanol	38.37
2-hexanone	56.09
octyl acetate	48.19
limonene	41.33
1,2-dimethoxyethane	140.97
ethyl orthosilicate	32.95
tributyl phosphate	40.58
diacetone alcohol	86.69
N,N-dimethylaniline	67.15
acrylonitrile	97.43
aniline	67.77
1,3-propanediol	90.87
bromobenzene	83.71
dibromomethane	107.62
1,1,2,2-tetrachloroethane	195.38
2-methyl-cyclohexyl acetate	46.67
tetrabutyl urea	66.37
diisobutyl methanol	35.84
2-phenylethanol	71.07
styrene	42.93
dioctyl adipate	54.02
dimethyl sulfate	99.69
ethyl butyrate	45.37
methyl lactate	74.7
butyl lactate	68.57
diethyl carbonate	36.54
propanediol butyl ether	126.37
triethyl orthoformate	38.71
p-tert-butyltoluene	30.19
methyl 4-tert-butylbenzoate	80.96
morpholine	127.35
tert-butylamine	62.24
n-dodecanol	30.76
dimethoxymethane	142.57
ethylene carbonate	74.84
cyrene	84.3
2-ethoxyethyl acetate	74.81
2-ethylhexyl acetate	51.6
1,2,4-trichlorobenzene	100.74
4-methylpyridine	131.36
dibutyl ether	49.63
2,6-dimethyl-4-heptanol	35.84
DEF	129.13
dimethyl isosorbide	134.96
tetrachloroethylene	120.5
eugenol	107.11
triacetin	80.8
span 80	96.08
1,4-butanediol	51.2
1,1-dichloroethane	97.64
2-methyl-1-pentanol	62.96
methyl formate	114.28
2-methyl-1-butanol	69.52
n-decane	9.43
butyronitrile	69.2
3,7-dimethyl-1-octanol	56.59
1-chlorooctane	36.41
1-chlorotetradecane	17.59
n-nonane	9.38
undecane	7.95
tert-butylcyclohexane	13.36
cyclooctane	6.47
cyclopentanol	81.7
tetrahydropyran	79.78
tert-amyl methyl ether	63.77
2,5,8-trioxanonane	161.7
1-hexene	39.03
2-isopropoxyethanol	65.07
2,2,2-trifluoroethanol	45.04
methyl butyrate	66.82

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