Molecular formula
C22H42O3

SMILES
CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O

Fragrance
Waxy	58.64%
Fatty	55.01%
Oily	38.64%
Odorless	31.91%
Meaty	25.97%
Savory	25.37%
Citrus	23.72%
Milky	23.07%
Creamy	21.24%
Dairy	21.01%

 

Flavor
Fatty	52.8%
Waxy	45.18%
Mild	36.29%
Bland	32.43%
Oily	32.13%
Fat	30.99%
Faint	28.16%
Odorless	28.06%
Coconut	25.63%
Slightly waxy	25.09%

 

Odor impact est.
Low

XLogP3-AA
8.3

pKa est.
6.85 (neutral)

Molecular weight
354.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
456°C

Flash point

• 208.58 ˚C est.

• 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid
• Oxiranedodecanoic acid, 3-octyl-, cis-
• cis-13,14-Epoxydocosanoic acid
• Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel-
• 12-(3-Octyl-2-oxiranyl)dodecanoic acid #

12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid is a long-chain epoxy fatty acid derivative that can serve as a reactive monomer or intermediate in polymer synthesis. In industrial manufacturing, it may be used to prepare epoxy-ester resins and specialty polymers with enhanced flexibility and abrasion resistance. In coatings and inks, it can act as a crosslinkable component or reactive diluent for epoxy and UV-curable systems. In adhesives, it provides a platform for covalent linkages within cured networks, contributing to performance and substrate compatibility. In cosmetics and personal care, it may be evaluated as an emollient precursor or used to derivatize esters for specialty ingredients. It could also function as a surfactant or formulation additive in household products, improving dispersion and film-forming properties, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	30.04
methanol	29.92
isopropanol	28.72
water	0.03
ethyl acetate	93.62
n-propanol	30.71
acetone	62.85
n-butanol	35.82
acetonitrile	23.24
DMF	90.31
toluene	27.86
isobutanol	28.57
1,4-dioxane	104.77
methyl acetate	58.92
THF	340.51
2-butanone	90.22
n-pentanol	32.25
sec-butanol	35.18
n-hexane	7.73
ethylene glycol	3.01
NMP	239.4
cyclohexane	25.96
DMSO	165.92
n-butyl acetate	123.57
n-octanol	29.08
chloroform	282.25
n-propyl acetate	139.26
acetic acid	46.81
dichloromethane	304.77
cyclohexanone	243.93
propylene glycol	9.34
isopropyl acetate	107.42
DMAc	231.18
2-ethoxyethanol	81.77
isopentanol	48.39
n-heptane	7.8
ethyl formate	42.79
1,2-dichloroethane	186.34
n-hexanol	29.59
2-methoxyethanol	73.93
isobutyl acetate	105.6
tetrachloromethane	53.24
n-pentyl acetate	154.3
transcutol	367.34
n-heptanol	31.83
ethylbenzene	27.24
MIBK	102.11
2-propoxyethanol	82.0
tert-butanol	54.94
MTBE	93.09
2-butoxyethanol	98.87
propionic acid	41.95
o-xylene	29.67
formic acid	11.75
diethyl ether	55.83
m-xylene	25.02
p-xylene	41.12
chlorobenzene	65.77
dimethyl carbonate	24.64
n-octane	4.19
formamide	25.51
cyclopentanone	259.53
2-pentanone	97.45
anisole	72.51
cyclopentyl methyl ether	132.27
gamma-butyrolactone	226.67
1-methoxy-2-propanol	83.36
pyridine	103.41
3-pentanone	77.51
furfural	164.25
n-dodecane	2.83
diethylene glycol	36.05
diisopropyl ether	32.88
tert-amyl alcohol	61.19
acetylacetone	134.03
n-hexadecane	3.37
acetophenone	104.53
methyl propionate	63.27
isopentyl acetate	140.65
trichloroethylene	312.12
n-nonanol	32.52
cyclohexanol	59.86
benzyl alcohol	45.84
2-ethylhexanol	33.23
isooctanol	36.18
dipropyl ether	68.31
1,2-dichlorobenzene	85.17
ethyl lactate	58.8
propylene carbonate	151.42
n-methylformamide	34.32
2-pentanol	31.12
n-pentane	5.61
1-propoxy-2-propanol	90.82
1-methoxy-2-propyl acetate	137.56
2-(2-methoxypropoxy) propanol	99.71
mesitylene	21.52
ε-caprolactone	242.21
p-cymene	25.92
epichlorohydrin	287.25
1,1,1-trichloroethane	192.22
2-aminoethanol	12.47
morpholine-4-carbaldehyde	169.15
sulfolane	394.32
2,2,4-trimethylpentane	7.78
2-methyltetrahydrofuran	220.39
n-hexyl acetate	137.54
isooctane	4.67
2-(2-butoxyethoxy)ethanol	132.75
sec-butyl acetate	120.4
tert-butyl acetate	148.12
decalin	13.4
glycerin	17.33
diglyme	314.3
acrylic acid	29.57
isopropyl myristate	48.55
n-butyric acid	89.76
acetyl acetate	70.91
di(2-ethylhexyl) phthalate	44.45
ethyl propionate	106.81
nitromethane	90.95
1,2-diethoxyethane	152.42
benzonitrile	55.48
trioctyl phosphate	29.86
1-bromopropane	99.67
gamma-valerolactone	324.39
n-decanol	21.14
triethyl phosphate	74.47
4-methyl-2-pentanol	30.43
propionitrile	28.59
vinylene carbonate	100.1
1,1,2-trichlorotrifluoroethane	193.02
DMS	77.59
cumene	24.01
2-octanol	27.49
2-hexanone	119.64
octyl acetate	58.22
limonene	45.08
1,2-dimethoxyethane	196.6
ethyl orthosilicate	73.76
tributyl phosphate	44.39
diacetone alcohol	134.64
N,N-dimethylaniline	54.86
acrylonitrile	28.62
aniline	36.23
1,3-propanediol	28.39
bromobenzene	76.76
dibromomethane	182.18
1,1,2,2-tetrachloroethane	299.83
2-methyl-cyclohexyl acetate	114.36
tetrabutyl urea	63.69
diisobutyl methanol	30.3
2-phenylethanol	46.01
styrene	32.03
dioctyl adipate	85.96
dimethyl sulfate	69.93
ethyl butyrate	126.27
methyl lactate	37.18
butyl lactate	100.54
diethyl carbonate	75.91
propanediol butyl ether	71.11
triethyl orthoformate	109.53
p-tert-butyltoluene	24.79
methyl 4-tert-butylbenzoate	115.75
morpholine	150.11
tert-butylamine	34.97
n-dodecanol	14.96
dimethoxymethane	71.68
ethylene carbonate	95.71
cyrene	111.77
2-ethoxyethyl acetate	181.33
2-ethylhexyl acetate	116.21
1,2,4-trichlorobenzene	110.08
4-methylpyridine	95.45
dibutyl ether	74.63
2,6-dimethyl-4-heptanol	30.3
DEF	124.96
dimethyl isosorbide	213.85
tetrachloroethylene	179.92
eugenol	89.2
triacetin	168.68
span 80	84.54
1,4-butanediol	13.51
1,1-dichloroethane	146.62
2-methyl-1-pentanol	44.59
methyl formate	23.54
2-methyl-1-butanol	41.82
n-decane	6.18
butyronitrile	40.04
3,7-dimethyl-1-octanol	38.91
1-chlorooctane	32.19
1-chlorotetradecane	10.6
n-nonane	5.62
undecane	3.93
tert-butylcyclohexane	10.25
cyclooctane	7.13
cyclopentanol	67.73
tetrahydropyran	154.44
tert-amyl methyl ether	81.15
2,5,8-trioxanonane	171.97
1-hexene	24.65
2-isopropoxyethanol	75.03
2,2,2-trifluoroethanol	28.64
methyl butyrate	147.93

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