Molecular formula
C10H12O2

SMILES
C=CCC1=CC=C2C(C1)OCO2

Fragrance
Spicy	58.79%
Herbal	40.11%
Green	37.53%
Sweet	33.82%
Fruity	28.37%
Fatty	26.07%
Nutty	25.46%
Coconut	25.02%
Celery	24.01%
Floral	23.45%

 

Flavor
Spice	37.66%
Spicy	31.72%
Floral	30.24%
Herbal	26.11%
Mint	25.61%
Bitter	25.5%
Minty	23.46%
Warm	23.41%
Oily	21.11%
Fatty	20.78%

 

Odor impact est.
High

XLogP3-AA
1.8

pKa est.
6.95 (neutral)

Molecular weight
164.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
230°C

Flash point

• 105.52 ˚C est.

• SCHEMBL2167137
• DTXSID60870428
• NRSXSFHVWXSMOO-UHFFFAOYSA-N
• 5-(Prop-2-en-1-yl)-3a,4-dihydro-2H-1,3-benzodioxole

The chemical name 5-(Prop-2-en-1-yl)-3a,4-dihydro-2H-1,3-benzodioxole is primarily used as a fragrance-related intermediate and odorant; in perfumery it serves as a building block for aroma compounds and can contribute distinctive notes to formulations. It is also encountered in cosmetics and personal care products as a fragrance ingredient. In household products such as air fresheners and cleaners, it may be used as a fragrance component. In industrial manufacturing, it functions as an intermediate for the synthesis of other aroma compounds and specialty fragrance ingredients, enabling downstream formulation development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	236.61
methanol	268.92
isopropanol	182.88
water	1.48
ethyl acetate	318.77
n-propanol	219.98
acetone	360.03
n-butanol	185.83
acetonitrile	387.48
DMF	459.81
toluene	178.16
isobutanol	164.17
1,4-dioxane	664.01
methyl acetate	318.71
THF	493.27
2-butanone	316.08
n-pentanol	127.62
sec-butanol	167.29
n-hexane	8.35
ethylene glycol	164.46
NMP	293.31
cyclohexane	22.08
DMSO	534.05
n-butyl acetate	123.44
n-octanol	58.03
chloroform	855.22
n-propyl acetate	144.26
acetic acid	313.54
dichloromethane	721.79
cyclohexanone	284.36
propylene glycol	171.24
isopropyl acetate	174.11
DMAc	384.05
2-ethoxyethanol	325.56
isopentanol	182.8
n-heptane	7.89
ethyl formate	161.43
1,2-dichloroethane	448.24
n-hexanol	109.69
2-methoxyethanol	474.35
isobutyl acetate	97.78
tetrachloromethane	93.96
n-pentyl acetate	76.29
transcutol	1424.66
n-heptanol	50.89
ethylbenzene	69.79
MIBK	156.55
2-propoxyethanol	274.51
tert-butanol	224.32
MTBE	204.76
2-butoxyethanol	141.87
propionic acid	215.65
o-xylene	96.37
formic acid	177.12
diethyl ether	257.16
m-xylene	112.39
p-xylene	82.13
chlorobenzene	219.78
dimethyl carbonate	174.28
n-octane	3.99
formamide	274.63
cyclopentanone	348.05
2-pentanone	221.43
anisole	218.57
cyclopentyl methyl ether	211.24
gamma-butyrolactone	374.56
1-methoxy-2-propanol	365.96
pyridine	472.4
3-pentanone	200.13
furfural	398.36
n-dodecane	5.4
diethylene glycol	347.24
diisopropyl ether	65.34
tert-amyl alcohol	176.98
acetylacetone	291.66
n-hexadecane	6.21
acetophenone	171.52
methyl propionate	244.83
isopentyl acetate	125.5
trichloroethylene	810.52
n-nonanol	53.67
cyclohexanol	151.25
benzyl alcohol	163.33
2-ethylhexanol	66.46
isooctanol	47.95
dipropyl ether	77.79
1,2-dichlorobenzene	188.8
ethyl lactate	103.94
propylene carbonate	211.06
n-methylformamide	259.18
2-pentanol	126.56
n-pentane	11.63
1-propoxy-2-propanol	161.96
1-methoxy-2-propyl acetate	200.19
2-(2-methoxypropoxy) propanol	220.52
mesitylene	66.32
ε-caprolactone	244.78
p-cymene	43.24
epichlorohydrin	546.83
1,1,1-trichloroethane	326.57
2-aminoethanol	217.16
morpholine-4-carbaldehyde	435.08
sulfolane	347.64
2,2,4-trimethylpentane	10.49
2-methyltetrahydrofuran	323.83
n-hexyl acetate	124.71
isooctane	8.72
2-(2-butoxyethoxy)ethanol	294.13
sec-butyl acetate	113.71
tert-butyl acetate	171.71
decalin	14.76
glycerin	265.94
diglyme	509.26
acrylic acid	229.13
isopropyl myristate	57.77
n-butyric acid	234.35
acetyl acetate	206.07
di(2-ethylhexyl) phthalate	67.36
ethyl propionate	140.08
nitromethane	556.57
1,2-diethoxyethane	267.16
benzonitrile	191.79
trioctyl phosphate	43.41
1-bromopropane	206.98
gamma-valerolactone	443.11
n-decanol	42.25
triethyl phosphate	69.61
4-methyl-2-pentanol	90.78
propionitrile	248.2
vinylene carbonate	224.34
1,1,2-trichlorotrifluoroethane	396.09
DMS	172.95
cumene	48.69
2-octanol	34.32
2-hexanone	130.02
octyl acetate	67.03
limonene	57.24
1,2-dimethoxyethane	390.47
ethyl orthosilicate	64.74
tributyl phosphate	61.04
diacetone alcohol	212.6
N,N-dimethylaniline	117.4
acrylonitrile	343.89
aniline	243.09
1,3-propanediol	255.41
bromobenzene	234.47
dibromomethane	409.02
1,1,2,2-tetrachloroethane	559.32
2-methyl-cyclohexyl acetate	97.31
tetrabutyl urea	72.65
diisobutyl methanol	48.95
2-phenylethanol	130.12
styrene	100.57
dioctyl adipate	88.86
dimethyl sulfate	214.79
ethyl butyrate	105.81
methyl lactate	167.08
butyl lactate	84.53
diethyl carbonate	92.88
propanediol butyl ether	169.04
triethyl orthoformate	87.15
p-tert-butyltoluene	42.33
methyl 4-tert-butylbenzoate	126.15
morpholine	613.07
tert-butylamine	127.0
n-dodecanol	35.07
dimethoxymethane	357.99
ethylene carbonate	190.18
cyrene	165.63
2-ethoxyethyl acetate	174.62
2-ethylhexyl acetate	98.85
1,2,4-trichlorobenzene	227.27
4-methylpyridine	327.08
dibutyl ether	76.21
2,6-dimethyl-4-heptanol	48.95
DEF	238.05
dimethyl isosorbide	269.3
tetrachloroethylene	355.66
eugenol	137.85
triacetin	170.8
span 80	137.78
1,4-butanediol	117.64
1,1-dichloroethane	408.99
2-methyl-1-pentanol	126.27
methyl formate	210.58
2-methyl-1-butanol	160.15
n-decane	7.68
butyronitrile	188.79
3,7-dimethyl-1-octanol	77.05
1-chlorooctane	39.48
1-chlorotetradecane	19.4
n-nonane	6.47
undecane	6.27
tert-butylcyclohexane	12.79
cyclooctane	8.55
cyclopentanol	145.47
tetrahydropyran	381.25
tert-amyl methyl ether	141.96
2,5,8-trioxanonane	374.13
1-hexene	42.18
2-isopropoxyethanol	207.49
2,2,2-trifluoroethanol	155.18
methyl butyrate	162.11

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