Molecular formula
C13H16O2

SMILES
CCCCC=COC(=O)C1=CC=CC=C1

Fragrance
Green	93.89%
Herbal	63.12%
Balsamic	61.23%
Woody	53.31%
Floral	50.4%
Fruity	49.94%
Leafy	43.74%
Fresh	37.33%
Cortex	33.41%
Oily	30.68%

 

Flavor
Green	53.14%
Balsam	48.34%
Oily	39.31%
Waxy	38.85%
Floral	38.4%
Fresh	38.39%
Herbal	36.81%
Fatty	34.41%
Sweet	31.19%
Fruity	30.47%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
6.42 (neutral)

Molecular weight
204.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
287°C

Flash point

• 131.35 ˚C est.

• ALTSDDHTSDGUCM-UHFFFAOYSA-N

Hex-1-enyl benzoate is commonly used as an odorant and fixative in perfumery to extend fragrance duration. It also serves as a fragrance ingredient in cosmetics and personal care products, and as a scent component in household products such as air fresheners and cleaners. In coatings, inks and adhesives, it can be added as a fragrance additive or scent-release agent. Additionally, it functions as an intermediate in fragrance chemistry and related polymer synthesis, enabling the preparation of fragrance-containing materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3223.14
methanol	3669.49
isopropanol	1506.62
water	0.07
ethyl acetate	4342.4
n-propanol	2470.4
acetone	5090.21
n-butanol	2231.15
acetonitrile	3794.88
DMF	8053.97
toluene	2262.45
isobutanol	1667.49
1,4-dioxane	2345.58
methyl acetate	3025.92
THF	3128.64
2-butanone	4410.47
n-pentanol	1141.57
sec-butanol	1827.0
n-hexane	161.49
ethylene glycol	180.92
NMP	3935.45
cyclohexane	255.48
DMSO	4515.94
n-butyl acetate	2001.1
n-octanol	307.94
chloroform	5704.45
n-propyl acetate	1876.89
acetic acid	1511.63
dichloromethane	7462.9
cyclohexanone	4322.61
propylene glycol	379.17
isopropyl acetate	1905.23
DMAc	4484.73
2-ethoxyethanol	1335.0
isopentanol	1709.51
n-heptane	50.85
ethyl formate	1443.95
1,2-dichloroethane	7286.65
n-hexanol	1063.34
2-methoxyethanol	3010.24
isobutyl acetate	890.37
tetrachloromethane	322.09
n-pentyl acetate	824.33
transcutol	5380.8
n-heptanol	324.98
ethylbenzene	735.04
MIBK	1537.42
2-propoxyethanol	1616.55
tert-butanol	1337.49
MTBE	2023.58
2-butoxyethanol	720.64
propionic acid	1316.64
o-xylene	776.07
formic acid	343.57
diethyl ether	3434.49
m-xylene	892.96
p-xylene	732.05
chlorobenzene	2676.27
dimethyl carbonate	1033.37
n-octane	25.15
formamide	1087.99
cyclopentanone	4248.31
2-pentanone	3774.95
anisole	1602.3
cyclopentyl methyl ether	2291.78
gamma-butyrolactone	3745.92
1-methoxy-2-propanol	2184.41
pyridine	4916.28
3-pentanone	2581.54
furfural	2753.37
n-dodecane	23.39
diethylene glycol	816.2
diisopropyl ether	611.76
tert-amyl alcohol	1412.7
acetylacetone	2845.64
n-hexadecane	28.6
acetophenone	1418.54
methyl propionate	3366.97
isopentyl acetate	1526.82
trichloroethylene	10496.99
n-nonanol	279.94
cyclohexanol	1609.66
benzyl alcohol	1073.7
2-ethylhexanol	561.81
isooctanol	286.42
dipropyl ether	696.09
1,2-dichlorobenzene	1843.22
ethyl lactate	494.72
propylene carbonate	1792.19
n-methylformamide	2868.52
2-pentanol	1387.1
n-pentane	146.16
1-propoxy-2-propanol	1079.27
1-methoxy-2-propyl acetate	1397.23
2-(2-methoxypropoxy) propanol	682.05
mesitylene	392.85
ε-caprolactone	2987.33
p-cymene	230.33
epichlorohydrin	6053.8
1,1,1-trichloroethane	3424.46
2-aminoethanol	697.56
morpholine-4-carbaldehyde	2572.97
sulfolane	3437.97
2,2,4-trimethylpentane	74.11
2-methyltetrahydrofuran	3051.91
n-hexyl acetate	1068.68
isooctane	63.45
2-(2-butoxyethoxy)ethanol	1127.77
sec-butyl acetate	1153.55
tert-butyl acetate	1527.42
decalin	126.54
glycerin	382.3
diglyme	2147.69
acrylic acid	1054.5
isopropyl myristate	311.24
n-butyric acid	2380.29
acetyl acetate	1503.09
di(2-ethylhexyl) phthalate	255.28
ethyl propionate	1623.07
nitromethane	4193.02
1,2-diethoxyethane	1913.07
benzonitrile	1821.49
trioctyl phosphate	180.24
1-bromopropane	3859.2
gamma-valerolactone	4056.54
n-decanol	199.19
triethyl phosphate	317.23
4-methyl-2-pentanol	566.81
propionitrile	2764.7
vinylene carbonate	1661.61
1,1,2-trichlorotrifluoroethane	2136.95
DMS	1037.87
cumene	343.44
2-octanol	236.14
2-hexanone	1893.11
octyl acetate	407.13
limonene	388.71
1,2-dimethoxyethane	2420.43
ethyl orthosilicate	295.79
tributyl phosphate	277.49
diacetone alcohol	1411.24
N,N-dimethylaniline	758.79
acrylonitrile	3606.62
aniline	2079.12
1,3-propanediol	1148.06
bromobenzene	3092.13
dibromomethane	4904.69
1,1,2,2-tetrachloroethane	7302.66
2-methyl-cyclohexyl acetate	584.98
tetrabutyl urea	394.51
diisobutyl methanol	266.64
2-phenylethanol	894.03
styrene	1314.55
dioctyl adipate	434.69
dimethyl sulfate	1246.84
ethyl butyrate	1085.29
methyl lactate	801.04
butyl lactate	548.64
diethyl carbonate	624.61
propanediol butyl ether	634.96
triethyl orthoformate	503.14
p-tert-butyltoluene	206.62
methyl 4-tert-butylbenzoate	550.89
morpholine	4025.25
tert-butylamine	823.67
n-dodecanol	146.48
dimethoxymethane	3361.31
ethylene carbonate	1394.18
cyrene	557.02
2-ethoxyethyl acetate	1248.07
2-ethylhexyl acetate	1097.45
1,2,4-trichlorobenzene	1972.91
4-methylpyridine	5231.41
dibutyl ether	683.27
2,6-dimethyl-4-heptanol	266.64
DEF	4616.23
dimethyl isosorbide	1097.79
tetrachloroethylene	3498.21
eugenol	630.66
triacetin	722.03
span 80	514.3
1,4-butanediol	325.97
1,1-dichloroethane	5631.56
2-methyl-1-pentanol	1075.71
methyl formate	1550.07
2-methyl-1-butanol	1866.83
n-decane	38.18
butyronitrile	2889.96
3,7-dimethyl-1-octanol	401.36
1-chlorooctane	300.2
1-chlorotetradecane	99.35
n-nonane	34.87
undecane	28.93
tert-butylcyclohexane	98.39
cyclooctane	63.18
cyclopentanol	1183.3
tetrahydropyran	3762.12
tert-amyl methyl ether	1515.64
2,5,8-trioxanonane	1230.18
1-hexene	1034.41
2-isopropoxyethanol	893.16
2,2,2-trifluoroethanol	318.88
methyl butyrate	2330.96

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