Molecular formula
C12H22O2

SMILES
CCCCCCC/C=C/CCC(=O)O

Fragrance
Fatty	89.4%
Green	69.43%
Waxy	68.54%
Dairy	59.69%
Oily	55.99%
Fruity	52.08%
Milky	43.09%
Creamy	36.75%
Buttery	33.61%
Citrus	33.0%

 

Flavor
Fatty	59.66%
Waxy	45.82%
Oily	30.93%
Fat	29.2%
Fruity	26.49%
Creamy	26.4%
Faint	24.56%
Soapy	22.97%
Sweet	22.66%
Bay oil	22.62%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
7.81 (neutral)

Molecular weight
198.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
291°C

Flash point

• 154.15 ˚C est.

• 4-dodecenoic acid
• C12:1n-8
• 4-Dodecensaure
• SCHEMBL249392
• GCORITRBZMICMI-CMDGGOBGSA-N
• LMFA01030038

4-Dodecensaure is used as a raw material and intermediate in several industrial routes, including the synthesis of fragrance esters for perfumery, production of cosmetic esters and emollients for personal care, derivatization to create surfactants and cleaning formulations, and as a feedstock for specialty polymers, lubricants, and plasticizers; it may also serve as a fatty-acid building block in coatings and inks formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2263.92
methanol	2325.84
isopropanol	1965.6
water	0.04
ethyl acetate	916.45
n-propanol	1582.22
acetone	2031.69
n-butanol	1359.19
acetonitrile	449.63
DMF	1620.19
toluene	224.6
isobutanol	1094.69
1,4-dioxane	1082.37
methyl acetate	502.91
THF	2815.58
2-butanone	1160.94
n-pentanol	1116.5
sec-butanol	1259.02
n-hexane	397.24
ethylene glycol	142.84
NMP	857.97
cyclohexane	164.49
DMSO	2844.05
n-butyl acetate	828.75
n-octanol	283.93
chloroform	650.1
n-propyl acetate	768.9
acetic acid	504.23
dichloromethane	692.68
cyclohexanone	1265.28
propylene glycol	413.75
isopropyl acetate	730.78
DMAc	918.5
2-ethoxyethanol	1127.23
isopentanol	1193.35
n-heptane	84.58
ethyl formate	327.06
1,2-dichloroethane	738.02
n-hexanol	961.05
2-methoxyethanol	1660.43
isobutyl acetate	511.57
tetrachloromethane	118.67
n-pentyl acetate	444.85
transcutol	2968.03
n-heptanol	331.38
ethylbenzene	167.43
MIBK	810.42
2-propoxyethanol	1177.13
tert-butanol	2103.45
MTBE	1598.54
2-butoxyethanol	604.17
propionic acid	487.09
o-xylene	157.38
formic acid	120.75
diethyl ether	1463.93
m-xylene	214.34
p-xylene	188.61
chlorobenzene	223.74
dimethyl carbonate	132.91
n-octane	30.19
formamide	210.89
cyclopentanone	1421.62
2-pentanone	1375.08
anisole	349.31
cyclopentyl methyl ether	1378.89
gamma-butyrolactone	1022.82
1-methoxy-2-propanol	1609.88
pyridine	592.21
3-pentanone	601.15
furfural	549.2
n-dodecane	17.59
diethylene glycol	625.75
diisopropyl ether	431.16
tert-amyl alcohol	1310.74
acetylacetone	903.03
n-hexadecane	20.49
acetophenone	309.48
methyl propionate	591.1
isopentyl acetate	763.12
trichloroethylene	841.27
n-nonanol	245.52
cyclohexanol	866.8
benzyl alcohol	320.57
2-ethylhexanol	508.65
isooctanol	289.84
dipropyl ether	684.43
1,2-dichlorobenzene	205.56
ethyl lactate	245.18
propylene carbonate	448.7
n-methylformamide	599.51
2-pentanol	1044.91
n-pentane	156.74
1-propoxy-2-propanol	962.38
1-methoxy-2-propyl acetate	712.13
2-(2-methoxypropoxy) propanol	462.52
mesitylene	155.58
ε-caprolactone	856.01
p-cymene	104.65
epichlorohydrin	1237.9
1,1,1-trichloroethane	496.5
2-aminoethanol	610.59
morpholine-4-carbaldehyde	819.47
sulfolane	1317.38
2,2,4-trimethylpentane	73.53
2-methyltetrahydrofuran	1921.42
n-hexyl acetate	575.03
isooctane	72.48
2-(2-butoxyethoxy)ethanol	766.71
sec-butyl acetate	540.9
tert-butyl acetate	860.02
decalin	95.76
glycerin	371.76
diglyme	1151.79
acrylic acid	248.92
isopropyl myristate	191.43
n-butyric acid	1022.73
acetyl acetate	291.69
di(2-ethylhexyl) phthalate	160.95
ethyl propionate	538.48
nitromethane	657.77
1,2-diethoxyethane	1018.21
benzonitrile	287.57
trioctyl phosphate	132.35
1-bromopropane	631.66
gamma-valerolactone	1320.55
n-decanol	174.17
triethyl phosphate	163.0
4-methyl-2-pentanol	549.96
propionitrile	469.65
vinylene carbonate	288.12
1,1,2-trichlorotrifluoroethane	688.54
DMS	249.32
cumene	130.02
2-octanol	226.88
2-hexanone	976.15
octyl acetate	232.54
limonene	216.1
1,2-dimethoxyethane	1544.87
ethyl orthosilicate	181.93
tributyl phosphate	169.17
diacetone alcohol	963.14
N,N-dimethylaniline	257.59
acrylonitrile	388.56
aniline	349.33
1,3-propanediol	838.63
bromobenzene	226.68
dibromomethane	555.7
1,1,2,2-tetrachloroethane	828.92
2-methyl-cyclohexyl acetate	356.39
tetrabutyl urea	219.24
diisobutyl methanol	270.53
2-phenylethanol	358.85
styrene	208.37
dioctyl adipate	267.92
dimethyl sulfate	240.43
ethyl butyrate	486.16
methyl lactate	280.24
butyl lactate	338.21
diethyl carbonate	223.98
propanediol butyl ether	580.56
triethyl orthoformate	311.82
p-tert-butyltoluene	113.59
methyl 4-tert-butylbenzoate	285.97
morpholine	1875.0
tert-butylamine	1285.95
n-dodecanol	124.73
dimethoxymethane	1127.83
ethylene carbonate	281.6
cyrene	343.82
2-ethoxyethyl acetate	505.43
2-ethylhexyl acetate	546.68
1,2,4-trichlorobenzene	235.86
4-methylpyridine	641.24
dibutyl ether	511.34
2,6-dimethyl-4-heptanol	270.53
DEF	1027.67
dimethyl isosorbide	681.65
tetrachloroethylene	520.28
eugenol	293.46
triacetin	375.93
span 80	434.8
1,4-butanediol	348.54
1,1-dichloroethane	689.76
2-methyl-1-pentanol	836.58
methyl formate	246.62
2-methyl-1-butanol	981.33
n-decane	36.97
butyronitrile	737.35
3,7-dimethyl-1-octanol	333.86
1-chlorooctane	180.32
1-chlorotetradecane	55.87
n-nonane	40.08
undecane	24.34
tert-butylcyclohexane	104.38
cyclooctane	54.23
cyclopentanol	957.56
tetrahydropyran	1887.19
tert-amyl methyl ether	917.02
2,5,8-trioxanonane	725.71
1-hexene	1059.25
2-isopropoxyethanol	853.28
2,2,2-trifluoroethanol	89.0
methyl butyrate	757.95

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