Molecular formula
C13H16O2

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

Fragrance
Green	94.71%
Floral	76.52%
Balsamic	74.6%
Herbal	69.01%
Sweet	62.25%
Fresh	60.18%
Woody	59.02%
Leafy	54.0%
Cortex	43.56%
Vegetable	39.52%

 

Flavor
Green	82.83%
Fresh	59.95%
Balsam	57.21%
Floral	51.91%
Leaf	47.74%
Waxy	46.14%
Fatty	39.79%
Oily	35.5%
Sweet	35.19%
Hyacinth	31.19%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
6.66 (neutral)

Molecular weight
204.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
278°C

Flash point

• 131.94 ˚C est.

• hex-3-en-1-yl benzoate
• DTXSID8047555
• 3-Hexen-1-ol, benzoate, (3Z)-
• Hex-3-en-1-yl benzoic acid
• benzoic acid hex-3-enyl ester
• 3-Hexen-1-ol,1-benzoic acid
• DTXCID6027555
• cis-3-Hexenyl benzoate, misture of isomers
• NS00091039

Hex-3-en-1-yl benzoate is typically used as a fragrance ingredient and aroma compound, contributing green and floral notes and potentially acting as a mild fixative in some perfume formulations. In cosmetics and personal care, it may be incorporated into scented products such as creams, lotions, and shampoos to provide fragrance while influencing volatility and fragrance release. In household products, it can serve as a fragrance additive in air fresheners, detergents, and cleaners to impart a fresh scent. It may be evaluated for use in flavor formulations as an aroma compound, depending on regulatory and formulation considerations. In industrial manufacturing, it can be employed as an intermediate in the synthesis of other esters and fragrance materials, enabling further customization of aroma profiles.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1202.77
methanol	1276.05
isopropanol	675.79
water	0.11
ethyl acetate	2224.87
n-propanol	902.19
acetone	2820.89
n-butanol	919.87
acetonitrile	2110.49
DMF	3313.84
toluene	1283.23
isobutanol	706.87
1,4-dioxane	1590.26
methyl acetate	1653.2
THF	1887.58
2-butanone	2140.6
n-pentanol	612.95
sec-butanol	765.41
n-hexane	169.86
ethylene glycol	90.01
NMP	2147.39
cyclohexane	290.88
DMSO	2727.39
n-butyl acetate	1355.4
n-octanol	276.85
chloroform	4506.19
n-propyl acetate	1196.83
acetic acid	950.15
dichloromethane	5796.95
cyclohexanone	2575.43
propylene glycol	158.53
isopropyl acetate	1017.2
DMAc	2071.32
2-ethoxyethanol	727.42
isopentanol	765.78
n-heptane	67.21
ethyl formate	815.82
1,2-dichloroethane	4668.19
n-hexanol	625.56
2-methoxyethanol	1133.44
isobutyl acetate	642.28
tetrachloromethane	355.15
n-pentyl acetate	625.95
transcutol	3618.03
n-heptanol	246.21
ethylbenzene	522.05
MIBK	842.41
2-propoxyethanol	869.11
tert-butanol	816.47
MTBE	1145.51
2-butoxyethanol	469.45
propionic acid	749.21
o-xylene	505.59
formic acid	179.74
diethyl ether	2014.17
m-xylene	583.37
p-xylene	555.47
chlorobenzene	1720.18
dimethyl carbonate	588.67
n-octane	35.7
formamide	486.24
cyclopentanone	2492.08
2-pentanone	1869.38
anisole	1018.5
cyclopentyl methyl ether	1230.85
gamma-butyrolactone	2392.49
1-methoxy-2-propanol	888.42
pyridine	2556.25
3-pentanone	1434.62
furfural	1656.51
n-dodecane	31.02
diethylene glycol	458.84
diisopropyl ether	403.19
tert-amyl alcohol	751.06
acetylacetone	1569.16
n-hexadecane	37.51
acetophenone	929.35
methyl propionate	1572.12
isopentyl acetate	998.46
trichloroethylene	6632.7
n-nonanol	246.84
cyclohexanol	883.3
benzyl alcohol	624.72
2-ethylhexanol	373.76
isooctanol	218.95
dipropyl ether	553.54
1,2-dichlorobenzene	1366.46
ethyl lactate	335.97
propylene carbonate	1199.3
n-methylformamide	1165.89
2-pentanol	670.7
n-pentane	128.36
1-propoxy-2-propanol	610.62
1-methoxy-2-propyl acetate	810.61
2-(2-methoxypropoxy) propanol	515.63
mesitylene	314.72
ε-caprolactone	1768.82
p-cymene	204.51
epichlorohydrin	3274.64
1,1,1-trichloroethane	2554.9
2-aminoethanol	284.36
morpholine-4-carbaldehyde	1524.6
sulfolane	2347.29
2,2,4-trimethylpentane	68.28
2-methyltetrahydrofuran	1612.64
n-hexyl acetate	850.48
isooctane	60.78
2-(2-butoxyethoxy)ethanol	773.23
sec-butyl acetate	727.51
tert-butyl acetate	894.14
decalin	126.71
glycerin	200.69
diglyme	1503.59
acrylic acid	636.58
isopropyl myristate	288.11
n-butyric acid	1247.24
acetyl acetate	944.71
di(2-ethylhexyl) phthalate	226.58
ethyl propionate	982.5
nitromethane	2345.34
1,2-diethoxyethane	1345.42
benzonitrile	1084.4
trioctyl phosphate	169.44
1-bromopropane	2400.79
gamma-valerolactone	2177.08
n-decanol	182.96
triethyl phosphate	275.59
4-methyl-2-pentanol	332.68
propionitrile	1446.21
vinylene carbonate	1084.68
1,1,2-trichlorotrifluoroethane	1374.2
DMS	747.96
cumene	275.15
2-octanol	203.56
2-hexanone	1145.95
octyl acetate	367.22
limonene	317.1
1,2-dimethoxyethane	1377.94
ethyl orthosilicate	261.69
tributyl phosphate	240.35
diacetone alcohol	747.87
N,N-dimethylaniline	535.92
acrylonitrile	1919.87
aniline	1105.21
1,3-propanediol	474.48
bromobenzene	2056.74
dibromomethane	3656.75
1,1,2,2-tetrachloroethane	4892.68
2-methyl-cyclohexyl acetate	464.2
tetrabutyl urea	331.75
diisobutyl methanol	206.24
2-phenylethanol	544.84
styrene	877.14
dioctyl adipate	394.68
dimethyl sulfate	829.6
ethyl butyrate	772.72
methyl lactate	417.01
butyl lactate	405.84
diethyl carbonate	494.11
propanediol butyl ether	431.32
triethyl orthoformate	404.9
p-tert-butyltoluene	182.24
methyl 4-tert-butylbenzoate	480.17
morpholine	1988.38
tert-butylamine	541.48
n-dodecanol	138.61
dimethoxymethane	1627.16
ethylene carbonate	900.97
cyrene	428.88
2-ethoxyethyl acetate	866.55
2-ethylhexyl acetate	749.24
1,2,4-trichlorobenzene	1408.34
4-methylpyridine	2499.57
dibutyl ether	607.36
2,6-dimethyl-4-heptanol	206.24
DEF	2102.36
dimethyl isosorbide	819.25
tetrachloroethylene	2469.46
eugenol	493.49
triacetin	638.5
span 80	418.8
1,4-butanediol	181.12
1,1-dichloroethane	3695.6
2-methyl-1-pentanol	589.44
methyl formate	783.36
2-methyl-1-butanol	797.74
n-decane	50.77
butyronitrile	1505.24
3,7-dimethyl-1-octanol	299.65
1-chlorooctane	300.12
1-chlorotetradecane	108.06
n-nonane	49.4
undecane	38.54
tert-butylcyclohexane	104.1
cyclooctane	77.22
cyclopentanol	648.72
tetrahydropyran	2151.91
tert-amyl methyl ether	808.75
2,5,8-trioxanonane	913.22
1-hexene	733.83
2-isopropoxyethanol	548.08
2,2,2-trifluoroethanol	240.4
methyl butyrate	1426.53

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