Molecular formula
C16H14O2

SMILES
C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2

Fragrance
Balsamic	91.31%
Sweet	79.75%
Spicy	70.24%
Fruity	68.95%
Floral	63.19%
Cinnamon	61.17%
Herbal	48.92%
Rose	43.83%
Honey	39.32%
Cherry	34.74%

 

Flavor
Balsam	76.02%
Sweet	60.85%
Floral	50.82%
Cherry	43.51%
Honey	41.03%
Balsamic	39.3%
Strawberry	37.25%
Chocolate	36.93%
Fruity	36.68%
Apricot	35.88%

 

Odor impact est.
Medium

XLogP3-AA
4.6

pKa est.
6.39 (neutral)

Molecular weight
238.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
356°C

Flash point

• 179.2 ˚C est.

• 3-Phenylprop-2-en-1-yl benzoate
• DTXSID1052169
• 3-phenylprop-2-enyl benzoate
• 3-phenylallyl benzoate
• DTXCID1030739
• AKOS033714291

3-Phenylprop-2-en-1-yl benzoate, also known as cinnamyl benzoate, is primarily used as a fragrance ingredient and fixative in perfumery; it is also commonly employed in cosmetics and personal care products as a fragrance component. It is used in household products such as air fresheners and cleaners to provide a lasting scent. In coatings, inks, and adhesives, it can serve as a fragrance additive and odor-retaining agent on surfaces. Additionally, it is often considered an intermediate in the synthesis of other fragrance compounds, supporting fragrance formulation efforts, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	100.75
methanol	105.0
isopropanol	61.76
water	0.18
ethyl acetate	404.87
n-propanol	88.72
acetone	487.78
n-butanol	86.89
acetonitrile	344.45
DMF	794.91
toluene	271.54
isobutanol	67.52
1,4-dioxane	421.98
methyl acetate	383.25
THF	722.83
2-butanone	477.88
n-pentanol	77.57
sec-butanol	82.62
n-hexane	17.03
ethylene glycol	17.74
NMP	432.74
cyclohexane	24.52
DMSO	611.25
n-butyl acetate	234.0
n-octanol	50.72
chloroform	1307.59
n-propyl acetate	257.58
acetic acid	167.49
dichloromethane	1759.0
cyclohexanone	598.76
propylene glycol	31.98
isopropyl acetate	206.23
DMAc	744.84
2-ethoxyethanol	148.64
isopentanol	83.14
n-heptane	15.15
ethyl formate	205.96
1,2-dichloroethane	1348.71
n-hexanol	73.84
2-methoxyethanol	215.53
isobutyl acetate	148.95
tetrachloromethane	59.03
n-pentyl acetate	136.55
transcutol	968.18
n-heptanol	47.38
ethylbenzene	131.01
MIBK	212.29
2-propoxyethanol	154.3
tert-butanol	82.36
MTBE	147.76
2-butoxyethanol	114.46
propionic acid	148.08
o-xylene	117.13
formic acid	45.02
diethyl ether	275.99
m-xylene	125.43
p-xylene	133.5
chlorobenzene	402.3
dimethyl carbonate	210.8
n-octane	7.96
formamide	173.16
cyclopentanone	748.05
2-pentanone	388.12
anisole	306.67
cyclopentyl methyl ether	274.87
gamma-butyrolactone	781.99
1-methoxy-2-propanol	170.3
pyridine	723.55
3-pentanone	335.94
furfural	587.29
n-dodecane	6.93
diethylene glycol	89.87
diisopropyl ether	65.45
tert-amyl alcohol	94.28
acetylacetone	432.81
n-hexadecane	8.24
acetophenone	284.95
methyl propionate	348.67
isopentyl acetate	197.61
trichloroethylene	2172.31
n-nonanol	49.91
cyclohexanol	98.82
benzyl alcohol	153.15
2-ethylhexanol	64.51
isooctanol	46.63
dipropyl ether	128.38
1,2-dichlorobenzene	358.35
ethyl lactate	94.2
propylene carbonate	362.97
n-methylformamide	297.09
2-pentanol	72.38
n-pentane	10.76
1-propoxy-2-propanol	126.47
1-methoxy-2-propyl acetate	221.22
2-(2-methoxypropoxy) propanol	144.23
mesitylene	68.48
ε-caprolactone	425.2
p-cymene	55.79
epichlorohydrin	1150.58
1,1,1-trichloroethane	579.13
2-aminoethanol	46.3
morpholine-4-carbaldehyde	407.78
sulfolane	750.74
2,2,4-trimethylpentane	10.46
2-methyltetrahydrofuran	393.0
n-hexyl acetate	183.91
isooctane	8.56
2-(2-butoxyethoxy)ethanol	203.29
sec-butyl acetate	169.79
tert-butyl acetate	194.44
decalin	22.66
glycerin	47.07
diglyme	521.58
acrylic acid	145.13
isopropyl myristate	68.17
n-butyric acid	215.25
acetyl acetate	233.94
di(2-ethylhexyl) phthalate	57.81
ethyl propionate	232.26
nitromethane	615.28
1,2-diethoxyethane	310.68
benzonitrile	272.41
trioctyl phosphate	38.77
1-bromopropane	434.29
gamma-valerolactone	661.26
n-decanol	37.99
triethyl phosphate	90.94
4-methyl-2-pentanol	50.15
propionitrile	271.87
vinylene carbonate	363.89
1,1,2-trichlorotrifluoroethane	409.2
DMS	219.24
cumene	70.16
2-octanol	37.03
2-hexanone	256.21
octyl acetate	84.48
limonene	73.57
1,2-dimethoxyethane	393.06
ethyl orthosilicate	83.15
tributyl phosphate	57.82
diacetone alcohol	196.74
N,N-dimethylaniline	150.73
acrylonitrile	404.5
aniline	209.06
1,3-propanediol	71.21
bromobenzene	469.27
dibromomethane	934.07
1,1,2,2-tetrachloroethane	1495.16
2-methyl-cyclohexyl acetate	131.12
tetrabutyl urea	81.84
diisobutyl methanol	48.96
2-phenylethanol	127.32
styrene	194.96
dioctyl adipate	113.33
dimethyl sulfate	312.96
ethyl butyrate	203.98
methyl lactate	117.65
butyl lactate	99.65
diethyl carbonate	143.35
propanediol butyl ether	98.13
triethyl orthoformate	122.88
p-tert-butyltoluene	49.65
methyl 4-tert-butylbenzoate	161.75
morpholine	430.49
tert-butylamine	53.55
n-dodecanol	30.05
dimethoxymethane	417.54
ethylene carbonate	272.04
cyrene	136.49
2-ethoxyethyl acetate	214.97
2-ethylhexyl acetate	153.62
1,2,4-trichlorobenzene	388.53
4-methylpyridine	578.29
dibutyl ether	127.18
2,6-dimethyl-4-heptanol	48.96
DEF	425.94
dimethyl isosorbide	284.87
tetrachloroethylene	674.35
eugenol	147.99
triacetin	200.0
span 80	99.59
1,4-butanediol	34.19
1,1-dichloroethane	819.98
2-methyl-1-pentanol	82.03
methyl formate	248.83
2-methyl-1-butanol	82.83
n-decane	11.55
butyronitrile	235.87
3,7-dimethyl-1-octanol	58.15
1-chlorooctane	63.61
1-chlorotetradecane	23.91
n-nonane	10.86
undecane	8.6
tert-butylcyclohexane	18.82
cyclooctane	9.19
cyclopentanol	109.8
tetrahydropyran	407.34
tert-amyl methyl ether	134.03
2,5,8-trioxanonane	294.96
1-hexene	86.34
2-isopropoxyethanol	118.43
2,2,2-trifluoroethanol	65.91
methyl butyrate	311.12

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