Molecular formula
C18H34O

SMILES
CCCCCCCCCCCCCCCC=CC=O

Fragrance
Fatty	78.38%
Waxy	65.99%
Citrus	52.79%
Oily	42.89%
Fruity	41.69%
Meaty	38.11%
Aldehydic	37.47%
Orange	35.41%
Fruit skin	33.91%
Fresh	31.12%

 

Flavor
Waxy	62.36%
Citrus	38.51%
Fatty	38.12%
Sweet	34.98%
Fat	34.7%
Fresh	34.28%
Aldehydic	32.95%
Soapy	32.89%
Wax	32.2%
Floral	30.53%

 

Odor impact est.
Medium

XLogP3-AA
8.0

pKa est.
7.06 (neutral)

Molecular weight
266.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
358°C

Flash point

• 163.64 ˚C est.

• OCTADEC-2-ENAL
• E2-18ALD
• DTXSID10965858
• AKOS030254648
• DB-261367
• NS00005102

Octadec-2-enal is a long-chain aldehyde (C18) with a double bond at position 2, used mainly in the fragrance industry as a fragrance ingredient and fixative in perfumery; it is evaluated as a fragrance component and may be considered for flavoring applications in food processing at exploratory levels; in cosmetics and personal care, it typically serves as a fragrance ingredient; in industrial manufacturing, it acts as an intermediate for the synthesis of fragrant esters and other specialty aroma-related compounds; in coatings and inks, it may be used as a fragrance additive or as a precursor for aromatic compounds; use is subject to local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	51.26
methanol	27.99
isopropanol	80.1
water	0.0
ethyl acetate	371.82
n-propanol	77.1
acetone	221.69
n-butanol	114.81
acetonitrile	59.69
DMF	242.13
toluene	163.24
isobutanol	85.27
1,4-dioxane	328.6
methyl acetate	175.76
THF	1057.62
2-butanone	288.84
n-pentanol	88.47
sec-butanol	99.74
n-hexane	103.13
ethylene glycol	2.28
NMP	522.5
cyclohexane	361.78
DMSO	336.83
n-butyl acetate	566.46
n-octanol	89.99
chloroform	742.57
n-propyl acetate	443.85
acetic acid	51.33
dichloromethane	786.38
cyclohexanone	845.44
propylene glycol	10.36
isopropyl acetate	386.21
DMAc	339.84
2-ethoxyethanol	136.79
isopentanol	158.38
n-heptane	145.45
ethyl formate	118.16
1,2-dichloroethane	701.84
n-hexanol	128.88
2-methoxyethanol	132.84
isobutyl acetate	321.08
tetrachloromethane	225.88
n-pentyl acetate	491.94
transcutol	880.55
n-heptanol	89.3
ethylbenzene	138.99
MIBK	372.1
2-propoxyethanol	216.91
tert-butanol	175.48
MTBE	333.86
2-butoxyethanol	191.66
propionic acid	73.31
o-xylene	152.66
formic acid	5.58
diethyl ether	322.35
m-xylene	145.72
p-xylene	191.01
chlorobenzene	268.81
dimethyl carbonate	57.88
n-octane	45.37
formamide	13.69
cyclopentanone	823.53
2-pentanone	395.55
anisole	251.34
cyclopentyl methyl ether	642.72
gamma-butyrolactone	642.4
1-methoxy-2-propanol	179.3
pyridine	373.86
3-pentanone	296.11
furfural	403.43
n-dodecane	20.64
diethylene glycol	56.02
diisopropyl ether	201.16
tert-amyl alcohol	175.59
acetylacetone	424.44
n-hexadecane	25.99
acetophenone	287.27
methyl propionate	227.59
isopentyl acetate	530.19
trichloroethylene	988.25
n-nonanol	98.36
cyclohexanol	250.11
benzyl alcohol	119.16
2-ethylhexanol	176.17
isooctanol	114.76
dipropyl ether	554.46
1,2-dichlorobenzene	343.19
ethyl lactate	117.99
propylene carbonate	369.0
n-methylformamide	55.79
2-pentanol	122.28
n-pentane	64.49
1-propoxy-2-propanol	301.05
1-methoxy-2-propyl acetate	428.46
2-(2-methoxypropoxy) propanol	204.97
mesitylene	137.42
ε-caprolactone	651.41
p-cymene	151.02
epichlorohydrin	806.64
1,1,1-trichloroethane	779.19
2-aminoethanol	12.94
morpholine-4-carbaldehyde	391.45
sulfolane	1032.33
2,2,4-trimethylpentane	51.39
2-methyltetrahydrofuran	795.66
n-hexyl acetate	439.34
isooctane	41.23
2-(2-butoxyethoxy)ethanol	268.54
sec-butyl acetate	381.96
tert-butyl acetate	528.38
decalin	113.16
glycerin	16.7
diglyme	648.74
acrylic acid	41.5
isopropyl myristate	191.74
n-butyric acid	233.55
acetyl acetate	206.28
di(2-ethylhexyl) phthalate	105.59
ethyl propionate	377.23
nitromethane	143.02
1,2-diethoxyethane	612.6
benzonitrile	183.46
trioctyl phosphate	88.97
1-bromopropane	488.46
gamma-valerolactone	794.78
n-decanol	69.87
triethyl phosphate	230.65
4-methyl-2-pentanol	107.66
propionitrile	107.83
vinylene carbonate	224.76
1,1,2-trichlorotrifluoroethane	360.38
DMS	202.94
cumene	114.07
2-octanol	90.37
2-hexanone	377.39
octyl acetate	192.03
limonene	298.52
1,2-dimethoxyethane	471.29
ethyl orthosilicate	246.3
tributyl phosphate	129.64
diacetone alcohol	347.3
N,N-dimethylaniline	191.18
acrylonitrile	87.76
aniline	133.91
1,3-propanediol	38.41
bromobenzene	349.1
dibromomethane	582.28
1,1,2,2-tetrachloroethane	1057.86
2-methyl-cyclohexyl acetate	415.67
tetrabutyl urea	186.69
diisobutyl methanol	175.95
2-phenylethanol	145.88
styrene	160.61
dioctyl adipate	259.09
dimethyl sulfate	134.55
ethyl butyrate	569.72
methyl lactate	69.16
butyl lactate	231.73
diethyl carbonate	268.73
propanediol butyl ether	126.82
triethyl orthoformate	426.37
p-tert-butyltoluene	143.84
methyl 4-tert-butylbenzoate	296.71
morpholine	480.5
tert-butylamine	150.17
n-dodecanol	53.61
dimethoxymethane	215.33
ethylene carbonate	227.02
cyrene	211.66
2-ethoxyethyl acetate	420.45
2-ethylhexyl acetate	477.24
1,2,4-trichlorobenzene	378.89
4-methylpyridine	370.84
dibutyl ether	443.84
2,6-dimethyl-4-heptanol	175.95
DEF	414.19
dimethyl isosorbide	554.99
tetrachloroethylene	588.01
eugenol	198.2
triacetin	373.73
span 80	195.26
1,4-butanediol	15.74
1,1-dichloroethane	575.26
2-methyl-1-pentanol	118.93
methyl formate	43.2
2-methyl-1-butanol	126.64
n-decane	48.74
butyronitrile	173.86
3,7-dimethyl-1-octanol	149.47
1-chlorooctane	190.87
1-chlorotetradecane	61.5
n-nonane	51.47
undecane	29.72
tert-butylcyclohexane	86.11
cyclooctane	110.76
cyclopentanol	214.57
tetrahydropyran	727.82
tert-amyl methyl ether	314.0
2,5,8-trioxanonane	381.55
1-hexene	196.0
2-isopropoxyethanol	150.31
2,2,2-trifluoroethanol	21.72
methyl butyrate	497.68

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