Molecular formula
C10H16O

SMILES
CC(=CCCC(=CC=O)C)C

Fruity	80.39%
Citrus	77.13%
Sweet	70.59%
Herbal	65.57%
Fresh	64.09%
Green	59.25%
Floral	59.02%
Lemon	57.71%
Aldehydic	47.09%
Spicy	44.33%

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XLogP3-AA
3.0

Molecular weight
152.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
219°C

Flash point est.
87.55 ˚C

• 3,7-Dimethyl-2,6-octadienal
• CHEBI:23316
• cis,trans-Citral
• DTXSID6024836
• Dehydrogeraniol
• lime octadienal
• 3,7-dimethyl-2,6-octandienal
• CHEMBL2297541
• 3,7-dimethyl-octa-2,6-dienal
• 3,7-dimethyl-2,6-octadien-1-al
• 3,7-dimethyl-2,6-octadiene-1-al
• AKOS024306977
• DB-052426
• D0762
• NS00077341
• Citral (mixture of cis- and trans-isomers), Natural
• Q60176530
• Citral (mixture of cis- and trans-isomers), Synthetic FCC
• Citral (mixture of cis- and trans-isomers), Geranial 45-55%, Neral 45-55%

Solvent	Solubility (g/L)
ethanol	519.12
methanol	439.24
isopropanol	392.69
water	0.61
ethyl acetate	309.74
n-propanol	380.33
acetone	283.42
n-butanol	407.01
acetonitrile	280.62
DMF	242.72
toluene	180.99
isobutanol	242.28
1,4-dioxane	716.38
methyl acetate	250.92
THF	736.07
2-butanone	288.78
n-pentanol	243.66
sec-butanol	311.27
n-hexane	141.38
ethylene glycol	57.56
NMP	239.19
cyclohexane	175.39
DMSO	195.4
n-butyl acetate	304.33
n-octanol	136.84
chloroform	780.99
n-propyl acetate	190.02
acetic acid	274.98
dichloromethane	481.15
cyclohexanone	401.2
propylene glycol	140.28
isopropyl acetate	171.27
DMAc	221.69
2-ethoxyethanol	247.32
isopentanol	292.89
n-heptane	107.52
ethyl formate	162.95
1,2-dichloroethane	277.03
n-hexanol	425.22
2-methoxyethanol	398.7
isobutyl acetate	132.04
tetrachloromethane	144.07
n-pentyl acetate	142.77
transcutol	955.77
n-heptanol	153.06
ethylbenzene	110.85
MIBK	146.69
2-propoxyethanol	427.69
tert-butanol	465.44
MTBE	316.58
2-butoxyethanol	212.11
propionic acid	211.84
o-xylene	111.62
formic acid	73.96
diethyl ether	398.13
m-xylene	131.68
p-xylene	137.19
chlorobenzene	189.36
dimethyl carbonate	54.48
n-octane	29.19
formamide	86.61
cyclopentanone	340.31
2-pentanone	249.71
anisole	192.38
cyclopentyl methyl ether	333.86
gamma-butyrolactone	315.61
1-methoxy-2-propanol	315.3
pyridine	401.35
3-pentanone	175.27
furfural	310.33
n-dodecane	17.75
diethylene glycol	218.74
diisopropyl ether	112.92
tert-amyl alcohol	326.23
acetylacetone	188.83
n-hexadecane	20.12
acetophenone	151.28
methyl propionate	176.71
isopentyl acetate	259.59
trichloroethylene	526.89
n-nonanol	124.36
cyclohexanol	328.93
benzyl alcohol	153.73
2-ethylhexanol	236.66
isooctanol	118.3
dipropyl ether	298.0
1,2-dichlorobenzene	163.45
ethyl lactate	90.66
propylene carbonate	206.76
n-methylformamide	131.7
2-pentanol	275.56
n-pentane	112.6
1-propoxy-2-propanol	358.39
1-methoxy-2-propyl acetate	247.12
2-(2-methoxypropoxy) propanol	219.16
mesitylene	88.07
ε-caprolactone	341.66
p-cymene	92.68
epichlorohydrin	397.83
1,1,1-trichloroethane	364.77
2-aminoethanol	166.26
morpholine-4-carbaldehyde	330.98
sulfolane	274.66
2,2,4-trimethylpentane	40.04
2-methyltetrahydrofuran	572.24
n-hexyl acetate	218.2
isooctane	35.83
2-(2-butoxyethoxy)ethanol	303.78
sec-butyl acetate	141.2
tert-butyl acetate	190.29
decalin	61.42
glycerin	132.67
diglyme	487.98
acrylic acid	148.49
isopropyl myristate	95.03
n-butyric acid	351.53
acetyl acetate	154.13
di(2-ethylhexyl) phthalate	90.29
ethyl propionate	156.17
nitromethane	260.18
1,2-diethoxyethane	337.15
benzonitrile	201.34
trioctyl phosphate	61.77
1-bromopropane	260.33
gamma-valerolactone	451.77
n-decanol	92.72
triethyl phosphate	99.59
4-methyl-2-pentanol	143.03
propionitrile	243.51
vinylene carbonate	192.0
1,1,2-trichlorotrifluoroethane	277.94
DMS	129.35
cumene	85.1
2-octanol	95.82
2-hexanone	203.78
octyl acetate	115.3
limonene	156.29
1,2-dimethoxyethane	416.12
ethyl orthosilicate	105.85
tributyl phosphate	82.52
diacetone alcohol	211.7
N,N-dimethylaniline	130.7
acrylonitrile	208.92
aniline	221.4
1,3-propanediol	238.42
bromobenzene	188.74
dibromomethane	390.58
1,1,2,2-tetrachloroethane	476.14
2-methyl-cyclohexyl acetate	178.29
tetrabutyl urea	95.89
diisobutyl methanol	137.73
2-phenylethanol	189.49
styrene	128.72
dioctyl adipate	135.45
dimethyl sulfate	64.79
ethyl butyrate	223.15
methyl lactate	87.63
butyl lactate	123.42
diethyl carbonate	143.58
propanediol butyl ether	191.58
triethyl orthoformate	167.75
p-tert-butyltoluene	94.71
methyl 4-tert-butylbenzoate	149.04
morpholine	822.18
tert-butylamine	345.32
n-dodecanol	71.99
dimethoxymethane	201.28
ethylene carbonate	167.92
cyrene	154.54
2-ethoxyethyl acetate	185.29
2-ethylhexyl acetate	207.21
1,2,4-trichlorobenzene	188.31
4-methylpyridine	344.18
dibutyl ether	207.04
2,6-dimethyl-4-heptanol	137.73
DEF	227.31
dimethyl isosorbide	324.02
tetrachloroethylene	302.89
eugenol	151.15
triacetin	182.09
span 80	218.34
1,4-butanediol	82.65
1,1-dichloroethane	365.7
2-methyl-1-pentanol	190.25
methyl formate	86.84
2-methyl-1-butanol	251.68
n-decane	32.69
butyronitrile	317.96
3,7-dimethyl-1-octanol	151.08
1-chlorooctane	103.49
1-chlorotetradecane	43.21
n-nonane	34.12
undecane	22.79
tert-butylcyclohexane	58.44
cyclooctane	53.17
cyclopentanol	252.65
tetrahydropyran	772.79
tert-amyl methyl ether	224.63
2,5,8-trioxanonane	317.72
1-hexene	300.81
2-isopropoxyethanol	183.47
2,2,2-trifluoroethanol	66.38
methyl butyrate	204.26

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