Molecular formula
C10H10O2

SMILES
CC=CC1=CC2=C(C=C1)OCO2

Fragrance
Spicy	84.42%
Sweet	81.94%
Floral	55.11%
Warm	47.23%
Cinnamon	44.36%
Clove	44.06%
Balsamic	41.95%
Powdery	37.88%
Woody	36.48%
Anisic	32.77%

 

Flavor
Spice	44.62%
Spicy	39.41%
Woody	38.93%
Sweet	32.3%
Floral	30.87%
Bitter	29.48%
Balsam	29.47%
Warm	28.97%
Clove	27.03%
Flower	26.59%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
6.89 (neutral)

Molecular weight
162.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
248°C

Flash point

• 109.66 ˚C est.

• 1,2-(Methylenedioxy)-4-propenylbenzene
• Spectrum_001287
• SpecPlus_000306
• Spectrum2_000672
• Spectrum3_001027
• Spectrum4_001158
• ChemDiv2_001446
• NCIOpen2_001345
• KBioGR_001735
• KBioSS_001767
• DivK1c_006402
• SPBio_000763
• 5-propenyl-benzo-1,3-dioxole
• CHEMBL3184536
• KBio1_001346
• KBio2_001767
• KBio2_004335
• KBio2_006903
• KBio3_002033
• AKOS030488676
• 5-cis/trans-propenyl-benzo-1,3-dioxole
• DB-041568
• EU-0050464
• NS00021565
• Q63088230

5-Propenyl-benzo-1,3-dioxole is commonly used as an intermediate or building block in fragrance and flavor chemistry, providing a structural basis for aroma compounds in perfumery and in food/beverage applications. It is also considered as a component or precursor in cosmetics and personal care to contribute natural-like scents. In the industrial polymers/plastics sector, it may function as a monomer or building block for related polymeric materials. Additionally, it can be used in cleaning and household products as a fragrance ingredient or aroma component in formulations. Its use is typically subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	200.35
methanol	187.52
isopropanol	137.67
water	0.59
ethyl acetate	390.78
n-propanol	174.26
acetone	485.9
n-butanol	155.03
acetonitrile	416.31
DMF	581.46
toluene	190.01
isobutanol	131.4
1,4-dioxane	684.36
methyl acetate	374.56
THF	644.68
2-butanone	355.22
n-pentanol	125.61
sec-butanol	145.22
n-hexane	16.76
ethylene glycol	141.26
NMP	429.1
cyclohexane	31.99
DMSO	717.47
n-butyl acetate	180.72
n-octanol	65.07
chloroform	833.3
n-propyl acetate	193.88
acetic acid	264.35
dichloromethane	911.05
cyclohexanone	354.91
propylene glycol	132.94
isopropyl acetate	210.03
DMAc	410.46
2-ethoxyethanol	313.77
isopentanol	162.89
n-heptane	12.75
ethyl formate	175.96
1,2-dichloroethane	709.9
n-hexanol	118.68
2-methoxyethanol	471.35
isobutyl acetate	132.37
tetrachloromethane	110.67
n-pentyl acetate	103.44
transcutol	1485.84
n-heptanol	55.98
ethylbenzene	93.54
MIBK	191.93
2-propoxyethanol	272.17
tert-butanol	226.97
MTBE	268.04
2-butoxyethanol	144.42
propionic acid	192.36
o-xylene	105.45
formic acid	138.72
diethyl ether	398.57
m-xylene	120.54
p-xylene	104.62
chlorobenzene	263.24
dimethyl carbonate	229.46
n-octane	6.65
formamide	304.87
cyclopentanone	511.27
2-pentanone	286.33
anisole	278.04
cyclopentyl methyl ether	293.53
gamma-butyrolactone	527.96
1-methoxy-2-propanol	340.32
pyridine	477.32
3-pentanone	246.63
furfural	447.89
n-dodecane	7.94
diethylene glycol	335.96
diisopropyl ether	103.53
tert-amyl alcohol	188.75
acetylacetone	398.65
n-hexadecane	9.29
acetophenone	206.07
methyl propionate	312.06
isopentyl acetate	167.86
trichloroethylene	1082.95
n-nonanol	60.84
cyclohexanol	149.66
benzyl alcohol	169.4
2-ethylhexanol	80.47
isooctanol	54.71
dipropyl ether	105.83
1,2-dichlorobenzene	232.77
ethyl lactate	113.07
propylene carbonate	267.89
n-methylformamide	295.58
2-pentanol	122.43
n-pentane	17.3
1-propoxy-2-propanol	167.81
1-methoxy-2-propyl acetate	227.14
2-(2-methoxypropoxy) propanol	225.63
mesitylene	77.87
ε-caprolactone	288.85
p-cymene	54.91
epichlorohydrin	788.04
1,1,1-trichloroethane	450.58
2-aminoethanol	177.04
morpholine-4-carbaldehyde	504.16
sulfolane	555.43
2,2,4-trimethylpentane	15.85
2-methyltetrahydrofuran	432.64
n-hexyl acetate	168.83
isooctane	14.49
2-(2-butoxyethoxy)ethanol	302.47
sec-butyl acetate	149.62
tert-butyl acetate	238.85
decalin	24.96
glycerin	224.45
diglyme	563.87
acrylic acid	209.94
isopropyl myristate	75.96
n-butyric acid	218.93
acetyl acetate	246.26
di(2-ethylhexyl) phthalate	79.13
ethyl propionate	192.95
nitromethane	656.3
1,2-diethoxyethane	327.61
benzonitrile	206.78
trioctyl phosphate	53.82
1-bromopropane	290.34
gamma-valerolactone	506.74
n-decanol	48.76
triethyl phosphate	92.84
4-methyl-2-pentanol	90.57
propionitrile	247.17
vinylene carbonate	266.25
1,1,2-trichlorotrifluoroethane	461.88
DMS	234.55
cumene	65.24
2-octanol	42.66
2-hexanone	175.55
octyl acetate	88.91
limonene	70.53
1,2-dimethoxyethane	455.18
ethyl orthosilicate	87.44
tributyl phosphate	77.27
diacetone alcohol	245.9
N,N-dimethylaniline	147.13
acrylonitrile	346.78
aniline	230.23
1,3-propanediol	216.57
bromobenzene	309.37
dibromomethane	546.04
1,1,2,2-tetrachloroethane	749.47
2-methyl-cyclohexyl acetate	124.66
tetrabutyl urea	90.81
diisobutyl methanol	59.5
2-phenylethanol	144.09
styrene	135.01
dioctyl adipate	113.02
dimethyl sulfate	311.93
ethyl butyrate	136.16
methyl lactate	172.28
butyl lactate	93.38
diethyl carbonate	122.34
propanediol butyl ether	160.85
triethyl orthoformate	112.15
p-tert-butyltoluene	56.06
methyl 4-tert-butylbenzoate	150.54
morpholine	644.46
tert-butylamine	141.59
n-dodecanol	41.08
dimethoxymethane	479.3
ethylene carbonate	228.02
cyrene	186.45
2-ethoxyethyl acetate	215.53
2-ethylhexyl acetate	136.91
1,2,4-trichlorobenzene	275.46
4-methylpyridine	349.35
dibutyl ether	112.33
2,6-dimethyl-4-heptanol	59.5
DEF	302.41
dimethyl isosorbide	306.98
tetrachloroethylene	452.02
eugenol	159.18
triacetin	204.6
span 80	143.85
1,4-butanediol	101.55
1,1-dichloroethane	506.1
2-methyl-1-pentanol	133.24
methyl formate	258.41
2-methyl-1-butanol	148.15
n-decane	11.34
butyronitrile	195.02
3,7-dimethyl-1-octanol	86.07
1-chlorooctane	54.43
1-chlorotetradecane	27.8
n-nonane	10.35
undecane	9.29
tert-butylcyclohexane	21.48
cyclooctane	13.46
cyclopentanol	149.75
tetrahydropyran	433.02
tert-amyl methyl ether	191.51
2,5,8-trioxanonane	386.5
1-hexene	67.26
2-isopropoxyethanol	221.03
2,2,2-trifluoroethanol	142.04
methyl butyrate	207.69

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