Molecular formula
C18H30O2

SMILES
CCC=CCC=CC/C=C\CCCCCCCC(=O)O

Fragrance
Fatty	83.46%
Oily	59.08%
Waxy	41.13%
Green	29.93%
Fruity	27.34%
Fishy	26.99%
Dairy	26.06%
Citrus	23.6%
Buttery	21.01%
Herbal	20.94%

 

Flavor
Fatty	30.29%
Faint	25.27%
Slightly waxy	19.28%
Oriental	19.23%
Delicate	19.0%
Pumpkin	18.93%
Low	18.68%
Diterpene	18.68%
Bay oil	18.43%
Honeydew	18.39%

 

Odor impact est.
Low

XLogP3-AA
5.9

pKa est.
7.72 (neutral)

Molecular weight
278.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
338°C

Flash point

• 216.25 ˚C est.

• SCHEMBL605348
• DTOSIQBPPRVQHS-NKIRVBODSA-N
• 9,12,15-cis-octadecatrienoic acid

9,12,15-cis-Octadecatrienoic acid, commonly known as alpha-linolenic acid, is an omega-3 polyunsaturated fatty acid with several practical applications. In food and nutrition, it is used as a nutritional ingredient and omega-3 supplement in processed foods and nutraceutical products. In cosmetics and personal care, it serves as an emollient and skin-conditioning lipid in natural oil formulations. In agriculture and animal feed, it may be added to diets to supply omega-3 fatty acids to livestock and aquatic species. In industrial manufacturing, it acts as a biobased feedstock for oleochemical derivatives and as a component in drying oils and alkyd resins for coatings and inks, and as a starting point for polymeric materials. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	207.16
methanol	179.32
isopropanol	161.39
water	0.01
ethyl acetate	137.79
n-propanol	155.74
acetone	170.72
n-butanol	164.72
acetonitrile	33.4
DMF	250.46
toluene	53.09
isobutanol	113.41
1,4-dioxane	210.51
methyl acetate	76.23
THF	692.56
2-butanone	169.17
n-pentanol	149.91
sec-butanol	140.19
n-hexane	33.42
ethylene glycol	7.67
NMP	287.83
cyclohexane	43.25
DMSO	553.67
n-butyl acetate	187.64
n-octanol	65.71
chloroform	204.21
n-propyl acetate	179.87
acetic acid	60.66
dichloromethane	221.01
cyclohexanone	322.48
propylene glycol	32.51
isopropyl acetate	140.39
DMAc	369.86
2-ethoxyethanol	230.98
isopentanol	171.49
n-heptane	18.07
ethyl formate	55.57
1,2-dichloroethane	220.54
n-hexanol	133.4
2-methoxyethanol	256.89
isobutyl acetate	134.77
tetrachloromethane	37.54
n-pentyl acetate	148.89
transcutol	985.93
n-heptanol	71.93
ethylbenzene	52.15
MIBK	191.94
2-propoxyethanol	248.1
tert-butanol	213.03
MTBE	229.2
2-butoxyethanol	170.05
propionic acid	63.2
o-xylene	51.28
formic acid	15.84
diethyl ether	192.77
m-xylene	54.5
p-xylene	57.55
chlorobenzene	68.24
dimethyl carbonate	31.42
n-octane	8.05
formamide	30.36
cyclopentanone	324.39
2-pentanone	211.8
anisole	115.33
cyclopentyl methyl ether	282.27
gamma-butyrolactone	244.77
1-methoxy-2-propanol	271.17
pyridine	139.87
3-pentanone	121.64
furfural	177.04
n-dodecane	5.67
diethylene glycol	103.37
diisopropyl ether	73.3
tert-amyl alcohol	181.26
acetylacetone	201.37
n-hexadecane	6.58
acetophenone	127.08
methyl propionate	102.53
isopentyl acetate	190.84
trichloroethylene	275.1
n-nonanol	66.15
cyclohexanol	153.69
benzyl alcohol	85.45
2-ethylhexanol	99.75
isooctanol	74.32
dipropyl ether	157.54
1,2-dichlorobenzene	77.73
ethyl lactate	70.34
propylene carbonate	128.49
n-methylformamide	68.56
2-pentanol	126.21
n-pentane	17.6
1-propoxy-2-propanol	225.01
1-methoxy-2-propyl acetate	199.55
2-(2-methoxypropoxy) propanol	166.21
mesitylene	44.54
ε-caprolactone	256.32
p-cymene	39.51
epichlorohydrin	347.64
1,1,1-trichloroethane	143.35
2-aminoethanol	45.92
morpholine-4-carbaldehyde	263.78
sulfolane	439.84
2,2,4-trimethylpentane	16.61
2-methyltetrahydrofuran	393.15
n-hexyl acetate	174.63
isooctane	13.49
2-(2-butoxyethoxy)ethanol	258.54
sec-butyl acetate	142.33
tert-butyl acetate	207.18
decalin	28.19
glycerin	44.95
diglyme	458.67
acrylic acid	33.92
isopropyl myristate	67.52
n-butyric acid	162.51
acetyl acetate	63.77
di(2-ethylhexyl) phthalate	57.61
ethyl propionate	128.09
nitromethane	102.37
1,2-diethoxyethane	315.47
benzonitrile	73.1
trioctyl phosphate	45.27
1-bromopropane	147.55
gamma-valerolactone	392.88
n-decanol	47.01
triethyl phosphate	71.13
4-methyl-2-pentanol	89.01
propionitrile	52.04
vinylene carbonate	83.43
1,1,2-trichlorotrifluoroethane	208.21
DMS	83.43
cumene	45.08
2-octanol	52.57
2-hexanone	210.33
octyl acetate	78.15
limonene	72.11
1,2-dimethoxyethane	378.67
ethyl orthosilicate	81.26
tributyl phosphate	57.97
diacetone alcohol	239.87
N,N-dimethylaniline	100.45
acrylonitrile	44.0
aniline	70.09
1,3-propanediol	99.12
bromobenzene	74.42
dibromomethane	165.01
1,1,2,2-tetrachloroethane	296.19
2-methyl-cyclohexyl acetate	145.04
tetrabutyl urea	89.21
diisobutyl methanol	66.99
2-phenylethanol	93.26
styrene	57.33
dioctyl adipate	109.94
dimethyl sulfate	73.71
ethyl butyrate	144.96
methyl lactate	63.1
butyl lactate	119.4
diethyl carbonate	72.69
propanediol butyl ether	148.43
triethyl orthoformate	121.67
p-tert-butyltoluene	40.15
methyl 4-tert-butylbenzoate	132.3
morpholine	369.1
tert-butylamine	130.23
n-dodecanol	34.05
dimethoxymethane	212.25
ethylene carbonate	79.19
cyrene	145.24
2-ethoxyethyl acetate	184.91
2-ethylhexyl acetate	148.26
1,2,4-trichlorobenzene	94.38
4-methylpyridine	148.99
dibutyl ether	145.62
2,6-dimethyl-4-heptanol	66.99
DEF	219.71
dimethyl isosorbide	310.63
tetrachloroethylene	170.89
eugenol	119.52
triacetin	155.09
span 80	152.92
1,4-butanediol	37.65
1,1-dichloroethane	148.57
2-methyl-1-pentanol	150.18
methyl formate	33.21
2-methyl-1-butanol	139.29
n-decane	11.35
butyronitrile	94.03
3,7-dimethyl-1-octanol	81.51
1-chlorooctane	53.24
1-chlorotetradecane	18.85
n-nonane	10.7
undecane	7.62
tert-butylcyclohexane	24.44
cyclooctane	13.66
cyclopentanol	141.51
tetrahydropyran	369.84
tert-amyl methyl ether	177.5
2,5,8-trioxanonane	296.51
1-hexene	106.23
2-isopropoxyethanol	189.33
2,2,2-trifluoroethanol	15.4
methyl butyrate	185.28

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