Molecular formula
C23H46O2

SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CC(C)C

Fragrance
Waxy	71.97%
Fatty	68.11%
Oily	62.44%
Fruity	37.06%
Creamy	30.78%
Sweet	28.6%
Odorless	27.78%
Dairy	24.34%
Milky	22.42%
Soapy	21.6%

 

Flavor
Waxy	59.35%
Oily	49.72%
Fatty	45.16%
Mild	44.38%
Soapy	34.06%
Fat	32.25%
Bland	32.13%
Coconut	30.3%
Faint	29.71%
Creamy	26.85%

 

Odor impact est.
Low

XLogP3-AA
10.1

pKa est.
7.37 (neutral)

Molecular weight
354.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
400°C

Flash point

• 177.51 ˚C est.

• 6-Octadecenyl 3-methylbutanoate
• WE(18:1(6)/4:0(3Me))
• Isovaleric acid, octadecyl ester
• SCHEMBL17891954
• PMHFPTSIKAVTHL-UHFFFAOYSA-N
• LMFA07010558

6-Octadecenyl 3-methylbutanoate is an ester of 3-methylbutanoic acid and 6-octadecenol. It is used in perfumery as a fragrance ingredient and fixative to extend scent duration. In cosmetics and personal care, it is considered a fragrance component and may contribute to a smoother skin feel. In household products such as air fresheners, detergents, and surface cleaners, it functions as a fragrance ingredient that helps stabilize and extend aroma. In polymers and plastics, it may act as a plasticizer or processing aid to improve flexibility and handling of formulations. In coatings and inks, it can be added as a fragrance additive or surface lubricant to influence aroma and tactile feel.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	93.08
methanol	86.01
isopropanol	163.34
water	0.1
ethyl acetate	972.09
n-propanol	166.3
acetone	608.67
n-butanol	235.57
acetonitrile	225.24
DMF	686.98
toluene	411.18
isobutanol	224.33
1,4-dioxane	836.71
methyl acetate	526.47
THF	2075.17
2-butanone	803.45
n-pentanol	167.63
sec-butanol	268.71
n-hexane	163.75
ethylene glycol	7.04
NMP	1852.25
cyclohexane	915.73
DMSO	690.85
n-butyl acetate	1105.61
n-octanol	290.94
chloroform	2533.51
n-propyl acetate	1094.68
acetic acid	258.82
dichloromethane	2548.59
cyclohexanone	2758.03
propylene glycol	27.96
isopropyl acetate	966.8
DMAc	1282.65
2-ethoxyethanol	294.71
isopentanol	347.54
n-heptane	172.06
ethyl formate	378.61
1,2-dichloroethane	1704.64
n-hexanol	179.85
2-methoxyethanol	298.4
isobutyl acetate	802.05
tetrachloromethane	733.53
n-pentyl acetate	1648.05
transcutol	1609.04
n-heptanol	235.69
ethylbenzene	306.74
MIBK	929.21
2-propoxyethanol	349.99
tert-butanol	347.8
MTBE	719.99
2-butoxyethanol	525.02
propionic acid	288.37
o-xylene	399.09
formic acid	34.98
diethyl ether	550.38
m-xylene	327.68
p-xylene	524.14
chlorobenzene	837.46
dimethyl carbonate	188.09
n-octane	90.54
formamide	83.49
cyclopentanone	2338.82
2-pentanone	959.53
anisole	559.67
cyclopentyl methyl ether	1420.62
gamma-butyrolactone	1968.73
1-methoxy-2-propanol	394.99
pyridine	1026.21
3-pentanone	814.8
furfural	1123.97
n-dodecane	42.54
diethylene glycol	107.92
diisopropyl ether	372.05
tert-amyl alcohol	453.41
acetylacetone	1144.06
n-hexadecane	55.19
acetophenone	738.6
methyl propionate	626.87
isopentyl acetate	1115.51
trichloroethylene	2731.69
n-nonanol	298.1
cyclohexanol	766.84
benzyl alcohol	289.05
2-ethylhexanol	295.56
isooctanol	290.78
dipropyl ether	740.84
1,2-dichlorobenzene	1030.79
ethyl lactate	305.91
propylene carbonate	1181.88
n-methylformamide	235.96
2-pentanol	264.1
n-pentane	106.72
1-propoxy-2-propanol	500.98
1-methoxy-2-propyl acetate	837.73
2-(2-methoxypropoxy) propanol	432.85
mesitylene	293.06
ε-caprolactone	2179.0
p-cymene	283.95
epichlorohydrin	1897.92
1,1,1-trichloroethane	2323.38
2-aminoethanol	37.36
morpholine-4-carbaldehyde	1206.25
sulfolane	2848.65
2,2,4-trimethylpentane	112.2
2-methyltetrahydrofuran	1821.4
n-hexyl acetate	1443.6
isooctane	64.28
2-(2-butoxyethoxy)ethanol	587.31
sec-butyl acetate	925.07
tert-butyl acetate	1266.87
decalin	244.68
glycerin	46.07
diglyme	1513.3
acrylic acid	172.39
isopropyl myristate	482.63
n-butyric acid	806.74
acetyl acetate	618.04
di(2-ethylhexyl) phthalate	299.25
ethyl propionate	938.18
nitromethane	632.71
1,2-diethoxyethane	1025.98
benzonitrile	499.49
trioctyl phosphate	252.5
1-bromopropane	1081.48
gamma-valerolactone	2498.85
n-decanol	185.76
triethyl phosphate	509.24
4-methyl-2-pentanol	224.61
propionitrile	297.63
vinylene carbonate	859.85
1,1,2-trichlorotrifluoroethane	986.65
DMS	609.47
cumene	237.26
2-octanol	288.14
2-hexanone	883.68
octyl acetate	552.94
limonene	603.32
1,2-dimethoxyethane	1052.88
ethyl orthosilicate	512.06
tributyl phosphate	351.07
diacetone alcohol	820.11
N,N-dimethylaniline	420.42
acrylonitrile	273.74
aniline	362.0
1,3-propanediol	103.19
bromobenzene	1042.26
dibromomethane	1742.77
1,1,2,2-tetrachloroethane	2732.03
2-methyl-cyclohexyl acetate	897.35
tetrabutyl urea	527.47
diisobutyl methanol	262.59
2-phenylethanol	276.89
styrene	361.42
dioctyl adipate	675.78
dimethyl sulfate	433.63
ethyl butyrate	1110.78
methyl lactate	207.19
butyl lactate	762.47
diethyl carbonate	563.6
propanediol butyl ether	372.73
triethyl orthoformate	852.48
p-tert-butyltoluene	260.36
methyl 4-tert-butylbenzoate	849.75
morpholine	1118.09
tert-butylamine	277.78
n-dodecanol	131.75
dimethoxymethane	451.82
ethylene carbonate	868.97
cyrene	494.45
2-ethoxyethyl acetate	1230.83
2-ethylhexyl acetate	1023.36
1,2,4-trichlorobenzene	1161.15
4-methylpyridine	1078.74
dibutyl ether	985.21
2,6-dimethyl-4-heptanol	262.59
DEF	1206.37
dimethyl isosorbide	1068.37
tetrachloroethylene	1729.74
eugenol	527.67
triacetin	1180.36
span 80	503.81
1,4-butanediol	45.02
1,1-dichloroethane	1560.18
2-methyl-1-pentanol	253.83
methyl formate	177.15
2-methyl-1-butanol	308.32
n-decane	110.53
butyronitrile	444.68
3,7-dimethyl-1-octanol	350.68
1-chlorooctane	497.31
1-chlorotetradecane	141.56
n-nonane	113.99
undecane	63.26
tert-butylcyclohexane	167.56
cyclooctane	223.09
cyclopentanol	680.82
tetrahydropyran	1709.93
tert-amyl methyl ether	694.05
2,5,8-trioxanonane	759.2
1-hexene	324.15
2-isopropoxyethanol	323.51
2,2,2-trifluoroethanol	141.38
methyl butyrate	1327.84

Scent© AI