Molecular formula
C17H28O4

SMILES
CCOC(=O)C(=CCC(C)CCC=C(C)C)C(=O)OCC

Fragrance
Floral	62.79%
Fruity	56.5%
Rose	49.19%
Green	48.01%
Herbal	47.55%
Winey	38.31%
Apple	38.28%
Woody	36.71%
Sweet	36.11%
Fresh	32.4%

 

Flavor
Fruity	49.84%
Bitter	33.95%
Tropical	23.73%
Waxy	22.77%
Apple	22.31%
Green	21.45%
Heather	21.26%
Genet	21.23%
Sweet	21.22%
Broom	21.07%

 

Odor impact est.
Low

XLogP3-AA
4.9

pKa est.
6.43 (neutral)

Molecular weight
296.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
318°C

Flash point

• 141.1 ˚C est.

• SCHEMBL12693596

Diethyl 2-(3,7-dimethyloct-6-enylidene)propanedioate is used as a versatile organic synthesis intermediate. In fragrance and perfumery, it is commonly employed as an aroma intermediate or potential fixative due to its terpenoid-like side chain. In cosmetics and personal care, it can serve as a fragrance ingredient or as a precursor for the synthesis of additional fragrance compounds. In industrial manufacturing, it functions as an intermediate to prepare specialty chemicals. In polymers/plastics and coatings/inks, it can be used as a monomer or building block for functional polymers and high-performance coatings. In cleaning formulations, it may appear as a fragrance component or co-solvent in certain product lines.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	607.91
methanol	482.8
isopropanol	488.67
water	0.11
ethyl acetate	765.38
n-propanol	488.19
acetone	1147.77
n-butanol	504.36
acetonitrile	462.93
DMF	1603.41
toluene	680.13
isobutanol	441.84
1,4-dioxane	996.17
methyl acetate	627.71
THF	2712.81
2-butanone	894.93
n-pentanol	367.26
sec-butanol	539.88
n-hexane	56.03
ethylene glycol	55.5
NMP	2553.25
cyclohexane	161.89
DMSO	1221.11
n-butyl acetate	476.2
n-octanol	134.94
chloroform	2936.35
n-propyl acetate	424.88
acetic acid	633.01
dichloromethane	2750.09
cyclohexanone	1854.73
propylene glycol	164.45
isopropyl acetate	498.09
DMAc	1609.79
2-ethoxyethanol	438.84
isopentanol	482.21
n-heptane	20.82
ethyl formate	378.46
1,2-dichloroethane	1840.2
n-hexanol	334.42
2-methoxyethanol	742.46
isobutyl acetate	299.34
tetrachloromethane	343.97
n-pentyl acetate	343.03
transcutol	1197.99
n-heptanol	144.71
ethylbenzene	259.94
MIBK	518.24
2-propoxyethanol	552.49
tert-butanol	635.27
MTBE	579.08
2-butoxyethanol	318.61
propionic acid	449.45
o-xylene	353.41
formic acid	137.43
diethyl ether	485.52
m-xylene	393.48
p-xylene	369.76
chlorobenzene	944.48
dimethyl carbonate	310.66
n-octane	10.88
formamide	252.2
cyclopentanone	2271.96
2-pentanone	798.46
anisole	475.28
cyclopentyl methyl ether	1146.6
gamma-butyrolactone	2015.53
1-methoxy-2-propanol	690.9
pyridine	1388.26
3-pentanone	621.66
furfural	1215.26
n-dodecane	9.21
diethylene glycol	333.17
diisopropyl ether	164.42
tert-amyl alcohol	597.24
acetylacetone	969.88
n-hexadecane	11.4
acetophenone	527.9
methyl propionate	710.33
isopentyl acetate	490.11
trichloroethylene	3459.01
n-nonanol	130.86
cyclohexanol	767.73
benzyl alcohol	429.41
2-ethylhexanol	208.25
isooctanol	133.93
dipropyl ether	189.36
1,2-dichlorobenzene	774.35
ethyl lactate	226.63
propylene carbonate	1032.9
n-methylformamide	510.83
2-pentanol	381.78
n-pentane	49.56
1-propoxy-2-propanol	400.45
1-methoxy-2-propyl acetate	544.94
2-(2-methoxypropoxy) propanol	366.98
mesitylene	229.43
ε-caprolactone	1305.27
p-cymene	136.34
epichlorohydrin	2462.92
1,1,1-trichloroethane	1789.66
2-aminoethanol	191.62
morpholine-4-carbaldehyde	1387.97
sulfolane	2262.92
2,2,4-trimethylpentane	40.61
2-methyltetrahydrofuran	1916.44
n-hexyl acetate	478.63
isooctane	26.36
2-(2-butoxyethoxy)ethanol	459.45
sec-butyl acetate	336.43
tert-butyl acetate	578.4
decalin	84.63
glycerin	197.2
diglyme	782.91
acrylic acid	362.34
isopropyl myristate	162.62
n-butyric acid	731.3
acetyl acetate	483.3
di(2-ethylhexyl) phthalate	203.71
ethyl propionate	416.06
nitromethane	1002.1
1,2-diethoxyethane	385.46
benzonitrile	507.49
trioctyl phosphate	127.28
1-bromopropane	902.27
gamma-valerolactone	2063.86
n-decanol	93.41
triethyl phosphate	177.93
4-methyl-2-pentanol	210.83
propionitrile	440.51
vinylene carbonate	725.54
1,1,2-trichlorotrifluoroethane	1258.92
DMS	428.76
cumene	171.93
2-octanol	107.55
2-hexanone	483.44
octyl acetate	218.72
limonene	227.16
1,2-dimethoxyethane	766.77
ethyl orthosilicate	168.45
tributyl phosphate	169.42
diacetone alcohol	670.03
N,N-dimethylaniline	349.61
acrylonitrile	509.77
aniline	696.78
1,3-propanediol	356.55
bromobenzene	1047.68
dibromomethane	1861.55
1,1,2,2-tetrachloroethane	2946.39
2-methyl-cyclohexyl acetate	363.99
tetrabutyl urea	234.9
diisobutyl methanol	118.3
2-phenylethanol	417.53
styrene	341.82
dioctyl adipate	284.17
dimethyl sulfate	529.98
ethyl butyrate	325.41
methyl lactate	336.99
butyl lactate	271.21
diethyl carbonate	221.68
propanediol butyl ether	298.47
triethyl orthoformate	227.66
p-tert-butyltoluene	133.48
methyl 4-tert-butylbenzoate	409.34
morpholine	1481.9
tert-butylamine	381.61
n-dodecanol	69.45
dimethoxymethane	800.61
ethylene carbonate	645.12
cyrene	471.88
2-ethoxyethyl acetate	449.33
2-ethylhexyl acetate	382.54
1,2,4-trichlorobenzene	1004.84
4-methylpyridine	1406.85
dibutyl ether	173.07
2,6-dimethyl-4-heptanol	118.3
DEF	973.78
dimethyl isosorbide	774.52
tetrachloroethylene	1546.77
eugenol	366.07
triacetin	443.31
span 80	356.18
1,4-butanediol	141.64
1,1-dichloroethane	1806.77
2-methyl-1-pentanol	402.0
methyl formate	371.4
2-methyl-1-butanol	501.21
n-decane	15.74
butyronitrile	498.53
3,7-dimethyl-1-octanol	163.66
1-chlorooctane	125.35
1-chlorotetradecane	46.44
n-nonane	14.53
undecane	11.54
tert-butylcyclohexane	62.24
cyclooctane	38.15
cyclopentanol	854.46
tetrahydropyran	1384.31
tert-amyl methyl ether	448.06
2,5,8-trioxanonane	518.17
1-hexene	218.77
2-isopropoxyethanol	330.92
2,2,2-trifluoroethanol	191.66
methyl butyrate	579.09

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