Molecular formula
C14H26O2

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

Fragrance
Floral	67.56%
Citrus	65.37%
Green	64.71%
Sweet	59.37%
Lemon	55.24%
Fresh	54.17%
Rose	43.17%
Herbal	40.4%
Waxy	39.55%
Natural	34.33%

 

Flavor
Green	63.42%
Fruity	61.44%
Floral	48.1%
Rose	43.82%
Waxy	38.68%
Tropical	38.06%
Sweet	35.13%
Herbal	32.78%
Geranium	31.17%
Bitter	29.72%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
8.76 (weak base)

Molecular weight
226.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
247°C

Flash point

• 91.42 ˚C est.

Solubility expt.

• less than 0.1 mg/mL at 72 °F (NTP, 1992)
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

• CITRAL DIETHYL ACETAL
• (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
• SCHEMBL119326
• NTXGFKWLJFHGGJ-UHFFFAOYSA-N
• DB-369954
• NS00082453

Used as a fragrance ingredient and potential fixative in perfumery; may serve as a flavor/aroma intermediate to create or stabilize lemon notes and can substitute for citral in some formulations; in cosmetics and personal care as a fragrance component; in household products (air fresheners and cleaners) to impart a citrus scent; in industrial manufacturing as an intermediate for the synthesis of fragrance compounds and related aromatics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1000.28
methanol	657.6
isopropanol	1047.8
water	0.44
ethyl acetate	1043.66
n-propanol	1022.25
acetone	925.76
n-butanol	1195.52
acetonitrile	655.35
DMF	580.94
toluene	1007.59
isobutanol	908.2
1,4-dioxane	1925.22
methyl acetate	664.39
THF	2323.16
2-butanone	875.96
n-pentanol	993.84
sec-butanol	1334.35
n-hexane	1394.17
ethylene glycol	70.78
NMP	793.65
cyclohexane	2383.94
DMSO	714.96
n-butyl acetate	1171.26
n-octanol	811.09
chloroform	4447.34
n-propyl acetate	822.61
acetic acid	724.59
dichloromethane	2958.39
cyclohexanone	1797.69
propylene glycol	215.97
isopropyl acetate	786.28
DMAc	754.16
2-ethoxyethanol	664.06
isopentanol	1000.26
n-heptane	1057.51
ethyl formate	509.36
1,2-dichloroethane	1531.9
n-hexanol	1330.06
2-methoxyethanol	757.03
isobutyl acetate	607.07
tetrachloromethane	916.46
n-pentyl acetate	887.36
transcutol	1862.13
n-heptanol	639.72
ethylbenzene	699.33
MIBK	596.66
2-propoxyethanol	906.99
tert-butanol	1552.0
MTBE	1524.78
2-butoxyethanol	626.61
propionic acid	569.23
o-xylene	642.72
formic acid	99.2
diethyl ether	1614.4
m-xylene	658.98
p-xylene	965.87
chlorobenzene	1032.65
dimethyl carbonate	185.58
n-octane	348.02
formamide	124.71
cyclopentanone	1213.57
2-pentanone	899.1
anisole	676.66
cyclopentyl methyl ether	1478.03
gamma-butyrolactone	1018.11
1-methoxy-2-propanol	717.73
pyridine	1402.72
3-pentanone	732.83
furfural	823.3
n-dodecane	186.87
diethylene glycol	367.43
diisopropyl ether	647.54
tert-amyl alcohol	1443.06
acetylacetone	699.54
n-hexadecane	215.61
acetophenone	614.52
methyl propionate	562.73
isopentyl acetate	980.46
trichloroethylene	2453.63
n-nonanol	730.23
cyclohexanol	1803.39
benzyl alcohol	554.28
2-ethylhexanol	984.35
isooctanol	537.5
dipropyl ether	1367.13
1,2-dichlorobenzene	853.01
ethyl lactate	333.97
propylene carbonate	764.26
n-methylformamide	235.89
2-pentanol	1092.75
n-pentane	936.58
1-propoxy-2-propanol	899.79
1-methoxy-2-propyl acetate	674.23
2-(2-methoxypropoxy) propanol	587.48
mesitylene	450.86
ε-caprolactone	1390.04
p-cymene	481.07
epichlorohydrin	1325.05
1,1,1-trichloroethane	2192.63
2-aminoethanol	223.65
morpholine-4-carbaldehyde	792.53
sulfolane	1196.75
2,2,4-trimethylpentane	335.39
2-methyltetrahydrofuran	2186.29
n-hexyl acetate	1266.31
isooctane	219.16
2-(2-butoxyethoxy)ethanol	789.15
sec-butyl acetate	647.06
tert-butyl acetate	786.55
decalin	562.17
glycerin	209.3
diglyme	1283.27
acrylic acid	355.11
isopropyl myristate	529.41
n-butyric acid	1163.44
acetyl acetate	654.82
di(2-ethylhexyl) phthalate	378.74
ethyl propionate	677.04
nitromethane	622.19
1,2-diethoxyethane	1132.25
benzonitrile	745.54
trioctyl phosphate	317.18
1-bromopropane	1661.48
gamma-valerolactone	1195.36
n-decanol	518.6
triethyl phosphate	398.38
4-methyl-2-pentanol	528.17
propionitrile	716.36
vinylene carbonate	647.45
1,1,2-trichlorotrifluoroethane	912.58
DMS	550.39
cumene	463.8
2-octanol	615.97
2-hexanone	844.78
octyl acetate	654.31
limonene	837.76
1,2-dimethoxyethane	1332.55
ethyl orthosilicate	425.32
tributyl phosphate	390.32
diacetone alcohol	617.09
N,N-dimethylaniline	529.27
acrylonitrile	521.13
aniline	720.46
1,3-propanediol	445.89
bromobenzene	1232.05
dibromomethane	2489.58
1,1,2,2-tetrachloroethane	2546.9
2-methyl-cyclohexyl acetate	732.74
tetrabutyl urea	458.14
diisobutyl methanol	521.46
2-phenylethanol	613.88
styrene	766.54
dioctyl adipate	663.6
dimethyl sulfate	253.07
ethyl butyrate	901.6
methyl lactate	254.08
butyl lactate	526.22
diethyl carbonate	576.16
propanediol butyl ether	587.99
triethyl orthoformate	667.74
p-tert-butyltoluene	457.63
methyl 4-tert-butylbenzoate	605.29
morpholine	1980.37
tert-butylamine	1341.08
n-dodecanol	401.97
dimethoxymethane	548.42
ethylene carbonate	625.21
cyrene	481.57
2-ethoxyethyl acetate	728.26
2-ethylhexyl acetate	879.27
1,2,4-trichlorobenzene	959.01
4-methylpyridine	1355.0
dibutyl ether	1328.88
2,6-dimethyl-4-heptanol	521.46
DEF	817.8
dimethyl isosorbide	884.2
tetrachloroethylene	1573.21
eugenol	490.6
triacetin	826.27
span 80	749.79
1,4-butanediol	228.45
1,1-dichloroethane	1949.68
2-methyl-1-pentanol	874.29
methyl formate	193.66
2-methyl-1-butanol	1004.08
n-decane	377.32
butyronitrile	1079.55
3,7-dimethyl-1-octanol	700.95
1-chlorooctane	801.38
1-chlorotetradecane	329.81
n-nonane	437.1
undecane	246.52
tert-butylcyclohexane	470.57
cyclooctane	708.93
cyclopentanol	1192.53
tetrahydropyran	3126.47
tert-amyl methyl ether	1103.4
2,5,8-trioxanonane	868.29
1-hexene	1781.24
2-isopropoxyethanol	592.2
2,2,2-trifluoroethanol	180.33
methyl butyrate	913.32

Scent© AI