Molecular formula
C11H12O3

SMILES
C[C@@H](CC1=CC2=C(C=C1)OCO2)C=O

Fragrance
Floral	81.13%
Sweet	76.36%
Green	74.46%
Fruity	66.25%
Fresh	61.66%
Aldehydic	44.5%
Melon	39.3%
Powdery	38.25%
Lily	37.79%
Jasmin	32.83%

 

Flavor
Sweet	56.76%
Floral	48.03%
Spicy	42.49%
Woody	40.17%
Spice	39.92%
Bitter	32.78%
Herbal	32.46%
Balsam	30.92%
Flower	29.31%
Vanilla	29.14%

 

Odor impact est.
Medium

XLogP3-AA
2.2

pKa est.
6.91 (neutral)

Molecular weight
192.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
291°C

Flash point

• 137.31 ˚C est.

• 2-piperonyl propanal
• (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal
• SCHEMBL2800872
• A804530
• (2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-propanal

(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal is a chiral aldehyde that serves as a versatile intermediate across several industrial domains. In fragrance and flavor chemistry, it is used as a building block for aroma compounds and related derivatives; in cosmetics and personal care, it may be incorporated into fragrance formulations; in household and cleaning products, it can function as a fragrance ingredient within formulations; in pharmaceuticals and fine chemicals, it can serve as an enantioenriched building block for the synthesis of chiral drug candidates and other specialty chemicals; and in industrial manufacturing, it provides a flexible platform for downstream transformations such as aldol chemistry and imine formation to access diverse derivatives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	203.83
methanol	290.21
isopropanol	115.15
water	2.29
ethyl acetate	329.12
n-propanol	116.38
acetone	330.91
n-butanol	108.32
acetonitrile	291.16
DMF	372.97
toluene	49.89
isobutanol	82.66
1,4-dioxane	392.01
methyl acetate	284.25
THF	320.52
2-butanone	206.19
n-pentanol	83.18
sec-butanol	78.41
n-hexane	1.26
ethylene glycol	155.86
NMP	165.96
cyclohexane	2.32
DMSO	393.01
n-butyl acetate	119.34
n-octanol	33.52
chloroform	432.37
n-propyl acetate	152.27
acetic acid	355.03
dichloromethane	463.24
cyclohexanone	172.12
propylene glycol	116.55
isopropyl acetate	165.93
DMAc	309.15
2-ethoxyethanol	364.88
isopentanol	128.02
n-heptane	1.77
ethyl formate	176.22
1,2-dichloroethane	316.86
n-hexanol	76.22
2-methoxyethanol	525.05
isobutyl acetate	109.03
tetrachloromethane	30.62
n-pentyl acetate	57.41
transcutol	1011.47
n-heptanol	33.82
ethylbenzene	31.87
MIBK	129.93
2-propoxyethanol	243.04
tert-butanol	199.03
MTBE	121.33
2-butoxyethanol	114.11
propionic acid	159.92
o-xylene	37.79
formic acid	308.08
diethyl ether	124.81
m-xylene	43.54
p-xylene	42.45
chlorobenzene	111.28
dimethyl carbonate	147.23
n-octane	1.43
formamide	480.88
cyclopentanone	227.07
2-pentanone	171.68
anisole	144.37
cyclopentyl methyl ether	113.02
gamma-butyrolactone	292.03
1-methoxy-2-propanol	341.21
pyridine	211.15
3-pentanone	107.18
furfural	329.18
n-dodecane	2.31
diethylene glycol	366.81
diisopropyl ether	35.02
tert-amyl alcohol	120.77
acetylacetone	291.97
n-hexadecane	2.63
acetophenone	135.44
methyl propionate	200.75
isopentyl acetate	118.83
trichloroethylene	596.8
n-nonanol	32.61
cyclohexanol	70.1
benzyl alcohol	125.22
2-ethylhexanol	45.51
isooctanol	32.97
dipropyl ether	37.87
1,2-dichlorobenzene	113.18
ethyl lactate	105.57
propylene carbonate	208.04
n-methylformamide	275.36
2-pentanol	66.82
n-pentane	1.24
1-propoxy-2-propanol	138.62
1-methoxy-2-propyl acetate	189.04
2-(2-methoxypropoxy) propanol	161.4
mesitylene	28.23
ε-caprolactone	179.29
p-cymene	24.91
epichlorohydrin	494.27
1,1,1-trichloroethane	183.62
2-aminoethanol	183.36
morpholine-4-carbaldehyde	326.46
sulfolane	255.18
2,2,4-trimethylpentane	2.74
2-methyltetrahydrofuran	178.72
n-hexyl acetate	85.93
isooctane	2.76
2-(2-butoxyethoxy)ethanol	221.25
sec-butyl acetate	113.7
tert-butyl acetate	166.51
decalin	4.13
glycerin	244.95
diglyme	378.27
acrylic acid	183.9
isopropyl myristate	39.55
n-butyric acid	215.72
acetyl acetate	197.28
di(2-ethylhexyl) phthalate	52.25
ethyl propionate	125.59
nitromethane	653.88
1,2-diethoxyethane	191.91
benzonitrile	136.5
trioctyl phosphate	31.93
1-bromopropane	80.01
gamma-valerolactone	343.41
n-decanol	26.67
triethyl phosphate	57.89
4-methyl-2-pentanol	64.99
propionitrile	151.28
vinylene carbonate	210.97
1,1,2-trichlorotrifluoroethane	338.43
DMS	137.3
cumene	26.56
2-octanol	23.43
2-hexanone	111.7
octyl acetate	47.96
limonene	28.66
1,2-dimethoxyethane	368.25
ethyl orthosilicate	52.02
tributyl phosphate	46.29
diacetone alcohol	217.66
N,N-dimethylaniline	74.1
acrylonitrile	237.02
aniline	110.48
1,3-propanediol	251.74
bromobenzene	105.74
dibromomethane	214.02
1,1,2,2-tetrachloroethane	379.45
2-methyl-cyclohexyl acetate	76.81
tetrabutyl urea	55.09
diisobutyl methanol	33.64
2-phenylethanol	105.98
styrene	43.79
dioctyl adipate	65.99
dimethyl sulfate	180.44
ethyl butyrate	87.67
methyl lactate	148.28
butyl lactate	68.75
diethyl carbonate	79.34
propanediol butyl ether	122.3
triethyl orthoformate	68.29
p-tert-butyltoluene	24.55
methyl 4-tert-butylbenzoate	93.7
morpholine	393.77
tert-butylamine	73.56
n-dodecanol	22.16
dimethoxymethane	337.94
ethylene carbonate	175.58
cyrene	137.87
2-ethoxyethyl acetate	143.07
2-ethylhexyl acetate	83.63
1,2,4-trichlorobenzene	131.91
4-methylpyridine	179.18
dibutyl ether	42.44
2,6-dimethyl-4-heptanol	33.64
DEF	176.56
dimethyl isosorbide	207.42
tetrachloroethylene	219.53
eugenol	110.49
triacetin	125.55
span 80	94.91
1,4-butanediol	112.23
1,1-dichloroethane	243.16
2-methyl-1-pentanol	91.53
methyl formate	252.22
2-methyl-1-butanol	91.59
n-decane	2.97
butyronitrile	130.53
3,7-dimethyl-1-octanol	49.91
1-chlorooctane	18.94
1-chlorotetradecane	9.85
n-nonane	2.33
undecane	2.57
tert-butylcyclohexane	4.15
cyclooctane	1.3
cyclopentanol	69.2
tetrahydropyran	149.79
tert-amyl methyl ether	81.18
2,5,8-trioxanonane	273.94
1-hexene	10.98
2-isopropoxyethanol	225.32
2,2,2-trifluoroethanol	201.13
methyl butyrate	153.44

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