Molecular formula
C15H18O3

SMILES
CCCCC/C(=C/C1=CC2=C(C=C1)OCO2)/C=O

Fragrance
Floral	71.39%
Green	57.78%
Jasmin	52.67%
Fruity	49.07%
Sweet	47.91%
Spicy	44.01%
Fresh	43.97%
Herbal	38.86%
Waxy	32.0%
Aldehydic	31.77%

 

Flavor
Herbal	53.53%
Spicy	30.4%
Woody	30.32%
Spice	29.42%
Floral	29.27%
Jasmin	26.55%
Fresh	26.45%
Celery	26.38%
Warm	26.15%
Bitter	24.17%

 

Odor impact est.
Medium

XLogP3-AA
4.4

pKa est.
7.62 (neutral)

Molecular weight
246.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
365°C

Flash point

• 160.59 ˚C est.

• NSC404578
• NSC-404578

For the compound (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)heptanal, practical applications may include use as a fragrance ingredient or fragrance intermediate in perfumery; considered as an aroma compound for fragrance and flavor formulations; as a scent component in cosmetics and personal care; as an intermediate in industrial manufacturing of specialty aroma chemicals or aroma-release polymer materials; used as an additive in coatings or inks to impart fragrance; and as a synthetic building block in the development of aroma-related materials, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	362.13
methanol	430.11
isopropanol	174.33
water	0.11
ethyl acetate	558.42
n-propanol	256.24
acetone	403.74
n-butanol	218.86
acetonitrile	448.8
DMF	440.73
toluene	150.89
isobutanol	150.92
1,4-dioxane	516.02
methyl acetate	422.03
THF	497.71
2-butanone	359.15
n-pentanol	156.99
sec-butanol	162.5
n-hexane	2.84
ethylene glycol	112.31
NMP	214.15
cyclohexane	8.51
DMSO	622.88
n-butyl acetate	214.5
n-octanol	37.09
chloroform	1073.71
n-propyl acetate	251.07
acetic acid	349.64
dichloromethane	1153.24
cyclohexanone	336.0
propylene glycol	160.11
isopropyl acetate	282.02
DMAc	432.16
2-ethoxyethanol	430.41
isopentanol	196.34
n-heptane	2.48
ethyl formate	218.06
1,2-dichloroethane	775.88
n-hexanol	108.79
2-methoxyethanol	649.9
isobutyl acetate	164.54
tetrachloromethane	58.61
n-pentyl acetate	100.06
transcutol	1557.02
n-heptanol	40.89
ethylbenzene	62.57
MIBK	199.8
2-propoxyethanol	314.06
tert-butanol	203.64
MTBE	181.68
2-butoxyethanol	146.64
propionic acid	219.12
o-xylene	72.15
formic acid	165.07
diethyl ether	279.64
m-xylene	83.72
p-xylene	76.77
chlorobenzene	229.57
dimethyl carbonate	191.61
n-octane	2.02
formamide	346.88
cyclopentanone	365.12
2-pentanone	317.27
anisole	211.31
cyclopentyl methyl ether	193.41
gamma-butyrolactone	405.94
1-methoxy-2-propanol	460.04
pyridine	474.91
3-pentanone	212.66
furfural	414.64
n-dodecane	3.17
diethylene glycol	351.51
diisopropyl ether	60.89
tert-amyl alcohol	155.77
acetylacetone	425.75
n-hexadecane	3.68
acetophenone	205.86
methyl propionate	356.79
isopentyl acetate	197.01
trichloroethylene	1267.86
n-nonanol	38.81
cyclohexanol	141.47
benzyl alcohol	194.43
2-ethylhexanol	59.84
isooctanol	41.57
dipropyl ether	61.99
1,2-dichlorobenzene	213.03
ethyl lactate	132.15
propylene carbonate	268.81
n-methylformamide	286.85
2-pentanol	131.12
n-pentane	3.25
1-propoxy-2-propanol	181.04
1-methoxy-2-propyl acetate	271.67
2-(2-methoxypropoxy) propanol	211.67
mesitylene	47.66
ε-caprolactone	311.41
p-cymene	36.62
epichlorohydrin	747.99
1,1,1-trichloroethane	385.26
2-aminoethanol	217.97
morpholine-4-carbaldehyde	382.6
sulfolane	352.96
2,2,4-trimethylpentane	4.85
2-methyltetrahydrofuran	298.28
n-hexyl acetate	133.79
isooctane	4.49
2-(2-butoxyethoxy)ethanol	309.55
sec-butyl acetate	185.13
tert-butyl acetate	246.8
decalin	7.8
glycerin	224.14
diglyme	551.18
acrylic acid	204.54
isopropyl myristate	60.4
n-butyric acid	328.39
acetyl acetate	288.06
di(2-ethylhexyl) phthalate	70.08
ethyl propionate	206.15
nitromethane	653.01
1,2-diethoxyethane	356.39
benzonitrile	221.11
trioctyl phosphate	42.11
1-bromopropane	265.74
gamma-valerolactone	470.07
n-decanol	31.71
triethyl phosphate	77.78
4-methyl-2-pentanol	89.98
propionitrile	284.79
vinylene carbonate	249.04
1,1,2-trichlorotrifluoroethane	467.39
DMS	210.62
cumene	43.55
2-octanol	28.23
2-hexanone	184.54
octyl acetate	71.3
limonene	43.09
1,2-dimethoxyethane	476.18
ethyl orthosilicate	73.35
tributyl phosphate	63.89
diacetone alcohol	267.86
N,N-dimethylaniline	100.85
acrylonitrile	399.35
aniline	231.26
1,3-propanediol	303.4
bromobenzene	247.49
dibromomethane	619.23
1,1,2,2-tetrachloroethane	856.15
2-methyl-cyclohexyl acetate	111.11
tetrabutyl urea	77.0
diisobutyl methanol	43.39
2-phenylethanol	150.43
styrene	96.94
dioctyl adipate	100.58
dimethyl sulfate	216.32
ethyl butyrate	135.65
methyl lactate	179.45
butyl lactate	100.28
diethyl carbonate	116.02
propanediol butyl ether	147.77
triethyl orthoformate	101.74
p-tert-butyltoluene	33.1
methyl 4-tert-butylbenzoate	124.74
morpholine	635.73
tert-butylamine	93.82
n-dodecanol	26.57
dimethoxymethane	477.78
ethylene carbonate	228.13
cyrene	154.05
2-ethoxyethyl acetate	242.53
2-ethylhexyl acetate	140.26
1,2,4-trichlorobenzene	232.68
4-methylpyridine	349.11
dibutyl ether	70.34
2,6-dimethyl-4-heptanol	43.39
DEF	310.03
dimethyl isosorbide	261.69
tetrachloroethylene	442.73
eugenol	144.09
triacetin	187.44
span 80	125.84
1,4-butanediol	125.74
1,1-dichloroethane	565.37
2-methyl-1-pentanol	147.73
methyl formate	209.86
2-methyl-1-butanol	164.51
n-decane	4.16
butyronitrile	241.52
3,7-dimethyl-1-octanol	61.81
1-chlorooctane	29.64
1-chlorotetradecane	14.88
n-nonane	3.2
undecane	3.52
tert-butylcyclohexane	6.82
cyclooctane	2.89
cyclopentanol	123.85
tetrahydropyran	344.14
tert-amyl methyl ether	126.28
2,5,8-trioxanonane	393.0
1-hexene	28.36
2-isopropoxyethanol	273.85
2,2,2-trifluoroethanol	130.15
methyl butyrate	247.31

Scent© AI