Molecular formula
C13H17NO2

SMILES
CCC=CCCOC(=O)C1=CC=CC=C1N

Fragrance
Floral	87.76%
Green	86.09%
Fruity	73.05%
Sweet	71.21%
Fresh	48.88%
Grape	46.29%
Herbal	45.46%
Leafy	42.77%
Balsamic	38.75%
Jasmin	35.53%

 

Flavor
Floral	62.68%
Green	54.78%
Sweet	49.59%
Fresh	44.46%
Balsam	41.91%
Waxy	35.99%
Fruity	35.59%
Spicy	33.64%
Oily	33.59%
Leaf	32.5%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
5.49 (weak acid)

Molecular weight
219.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
311°C

Flash point

• 166.94 ˚C est.

• hex-3-enyl 2-aminobenzoate
• Hex-3-en-1-yl 2-aminobenzoate
• DTXSID50867145

Hex-3-enyl 2-aminobenzoate is commonly used as an odorant in perfumery and cosmetics, contributing distinctive aroma notes and potentially acting as a light fixative because of its alkenyl moiety. It can also be employed in household products such as air fresheners and detergents to impart fragrance; in industrial manufacturing, it serves as an intermediate in the synthesis of fragrance-related compounds and other fine chemicals; in coatings and inks, it may be used as a fragrance additive to impart scent to finished products. Its use is typically subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	943.01
methanol	1132.25
isopropanol	546.6
water	0.13
ethyl acetate	791.26
n-propanol	705.49
acetone	1762.83
n-butanol	556.05
acetonitrile	1060.39
DMF	2209.27
toluene	287.31
isobutanol	445.54
1,4-dioxane	934.83
methyl acetate	661.92
THF	1511.45
2-butanone	902.89
n-pentanol	298.05
sec-butanol	422.38
n-hexane	10.9
ethylene glycol	105.0
NMP	1396.93
cyclohexane	29.33
DMSO	3183.52
n-butyl acetate	295.19
n-octanol	64.74
chloroform	1622.19
n-propyl acetate	312.91
acetic acid	790.3
dichloromethane	1905.83
cyclohexanone	1118.78
propylene glycol	224.15
isopropyl acetate	324.01
DMAc	1114.87
2-ethoxyethanol	422.04
isopentanol	357.42
n-heptane	5.33
ethyl formate	419.77
1,2-dichloroethane	1656.73
n-hexanol	219.49
2-methoxyethanol	993.08
isobutyl acetate	155.55
tetrachloromethane	97.71
n-pentyl acetate	142.54
transcutol	1207.86
n-heptanol	85.46
ethylbenzene	79.09
MIBK	300.14
2-propoxyethanol	381.9
tert-butanol	484.74
MTBE	362.48
2-butoxyethanol	197.4
propionic acid	466.09
o-xylene	111.45
formic acid	204.54
diethyl ether	539.54
m-xylene	132.64
p-xylene	100.81
chlorobenzene	510.17
dimethyl carbonate	310.57
n-octane	2.99
formamide	476.57
cyclopentanone	1538.63
2-pentanone	752.02
anisole	240.32
cyclopentyl methyl ether	568.61
gamma-butyrolactone	1572.52
1-methoxy-2-propanol	688.42
pyridine	925.69
3-pentanone	451.71
furfural	888.36
n-dodecane	3.66
diethylene glycol	323.38
diisopropyl ether	74.81
tert-amyl alcohol	333.03
acetylacetone	726.91
n-hexadecane	4.33
acetophenone	247.48
methyl propionate	643.33
isopentyl acetate	234.14
trichloroethylene	2529.5
n-nonanol	60.64
cyclohexanol	437.85
benzyl alcohol	234.0
2-ethylhexanol	96.85
isooctanol	68.98
dipropyl ether	99.75
1,2-dichlorobenzene	354.86
ethyl lactate	147.7
propylene carbonate	631.45
n-methylformamide	879.33
2-pentanol	279.63
n-pentane	10.5
1-propoxy-2-propanol	242.97
1-methoxy-2-propyl acetate	276.87
2-(2-methoxypropoxy) propanol	176.04
mesitylene	66.99
ε-caprolactone	705.01
p-cymene	42.64
epichlorohydrin	1892.5
1,1,1-trichloroethane	837.17
2-aminoethanol	305.36
morpholine-4-carbaldehyde	861.72
sulfolane	1863.44
2,2,4-trimethylpentane	10.34
2-methyltetrahydrofuran	913.18
n-hexyl acetate	186.6
isooctane	8.32
2-(2-butoxyethoxy)ethanol	284.19
sec-butyl acetate	165.03
tert-butyl acetate	295.39
decalin	15.35
glycerin	270.75
diglyme	552.68
acrylic acid	427.16
isopropyl myristate	62.94
n-butyric acid	719.55
acetyl acetate	373.35
di(2-ethylhexyl) phthalate	77.15
ethyl propionate	258.33
nitromethane	1637.58
1,2-diethoxyethane	284.75
benzonitrile	331.87
trioctyl phosphate	58.57
1-bromopropane	588.27
gamma-valerolactone	1335.38
n-decanol	46.34
triethyl phosphate	86.14
4-methyl-2-pentanol	110.72
propionitrile	559.57
vinylene carbonate	508.3
1,1,2-trichlorotrifluoroethane	885.51
DMS	206.81
cumene	49.03
2-octanol	51.68
2-hexanone	321.27
octyl acetate	91.18
limonene	71.71
1,2-dimethoxyethane	643.04
ethyl orthosilicate	77.62
tributyl phosphate	73.12
diacetone alcohol	372.13
N,N-dimethylaniline	127.46
acrylonitrile	720.8
aniline	463.11
1,3-propanediol	445.56
bromobenzene	516.62
dibromomethane	1135.46
1,1,2,2-tetrachloroethane	1774.65
2-methyl-cyclohexyl acetate	131.15
tetrabutyl urea	97.62
diisobutyl methanol	54.31
2-phenylethanol	182.12
styrene	138.56
dioctyl adipate	106.78
dimethyl sulfate	494.69
ethyl butyrate	176.45
methyl lactate	301.99
butyl lactate	136.64
diethyl carbonate	127.31
propanediol butyl ether	192.32
triethyl orthoformate	111.5
p-tert-butyltoluene	41.21
methyl 4-tert-butylbenzoate	156.51
morpholine	1312.65
tert-butylamine	213.81
n-dodecanol	35.81
dimethoxymethane	969.28
ethylene carbonate	444.61
cyrene	211.69
2-ethoxyethyl acetate	224.53
2-ethylhexyl acetate	160.85
1,2,4-trichlorobenzene	432.64
4-methylpyridine	864.92
dibutyl ether	87.39
2,6-dimethyl-4-heptanol	54.31
DEF	745.79
dimethyl isosorbide	321.8
tetrachloroethylene	807.89
eugenol	165.05
triacetin	175.19
span 80	151.04
1,4-butanediol	149.35
1,1-dichloroethane	1336.26
2-methyl-1-pentanol	224.2
methyl formate	587.92
2-methyl-1-butanol	368.8
n-decane	5.27
butyronitrile	601.03
3,7-dimethyl-1-octanol	71.88
1-chlorooctane	45.99
1-chlorotetradecane	17.79
n-nonane	4.42
undecane	4.25
tert-butylcyclohexane	12.92
cyclooctane	6.67
cyclopentanol	532.37
tetrahydropyran	1064.29
tert-amyl methyl ether	205.43
2,5,8-trioxanonane	331.22
1-hexene	80.55
2-isopropoxyethanol	239.74
2,2,2-trifluoroethanol	206.28
methyl butyrate	391.71

Scent© AI