Molecular formula
C12H24O2

SMILES
CCCC(CCOC(=O)C)C(C)CC

Fragrance
Floral	79.78%
Fruity	60.59%
Sweet	59.82%
Woody	57.76%
Fresh	57.37%
Rose	55.38%
Waxy	51.73%
Citrus	45.98%
Herbal	41.31%
Green	38.58%

 

Flavor
Floral	50.56%
Waxy	49.56%
Green	45.69%
Oily	40.54%
Woody	37.8%
Fruity	37.59%
Citrus	37.22%
Fresh	36.04%
Rose	34.42%
Tropical	32.85%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
8.94 (weak base)

Molecular weight
200.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
230°C

Flash point

• 92.56 ˚C est.

• (4-methyl-3-propylhexyl) acetate
• 4-methyl-3-propylhexyl acetate
• EINECS 270-817-7
• DTXSID60867636
• YBWGMVNKXYDKBJ-UHFFFAOYSA-N
• NS00011936

4-Methyl-3-propylhexyl acetate is mainly used as a fragrance ingredient and fixative in perfumery, contributing fruity and green notes while helping to extend scent longevity. It is commonly evaluated for use in cosmetics and personal care as a scent component. In household products, it serves as a fragrance solvent and odor carrier in cleaners, detergents, and air fresheners. In coatings and inks, it can function as a solvent or processing aid. In polymers and plastics processing, it may act as a plasticizer or formulation component. It can also be used as a solvent in cleaning formulations and degreasers.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6761.83
methanol	7176.92
isopropanol	5901.21
water	0.47
ethyl acetate	5418.3
n-propanol	5720.14
acetone	8017.01
n-butanol	4795.24
acetonitrile	4304.21
DMF	5619.5
toluene	1976.16
isobutanol	4498.67
1,4-dioxane	6744.14
methyl acetate	3476.9
THF	8863.54
2-butanone	5630.81
n-pentanol	2822.09
sec-butanol	4714.56
n-hexane	1053.47
ethylene glycol	553.6
NMP	4109.75
cyclohexane	1126.88
DMSO	5833.23
n-butyl acetate	3534.54
n-octanol	804.47
chloroform	7166.3
n-propyl acetate	2617.08
acetic acid	2933.22
dichloromethane	6059.1
cyclohexanone	7268.65
propylene glycol	1105.22
isopropyl acetate	3554.01
DMAc	3376.8
2-ethoxyethanol	2870.06
isopentanol	4108.1
n-heptane	229.64
ethyl formate	2146.86
1,2-dichloroethane	5192.32
n-hexanol	2849.95
2-methoxyethanol	5005.55
isobutyl acetate	1599.07
tetrachloromethane	1571.59
n-pentyl acetate	1621.85
transcutol	7719.91
n-heptanol	851.75
ethylbenzene	921.24
MIBK	2674.9
2-propoxyethanol	3652.59
tert-butanol	7042.05
MTBE	8439.95
2-butoxyethanol	1466.81
propionic acid	2747.59
o-xylene	1112.42
formic acid	797.57
diethyl ether	6988.35
m-xylene	1361.49
p-xylene	1072.69
chlorobenzene	2494.62
dimethyl carbonate	706.59
n-octane	81.74
formamide	1185.96
cyclopentanone	6140.2
2-pentanone	4922.5
anisole	1702.98
cyclopentyl methyl ether	5636.13
gamma-butyrolactone	5409.4
1-methoxy-2-propanol	3952.78
pyridine	4166.12
3-pentanone	3245.14
furfural	3221.49
n-dodecane	47.21
diethylene glycol	1790.63
diisopropyl ether	1732.35
tert-amyl alcohol	5181.37
acetylacetone	3579.16
n-hexadecane	58.59
acetophenone	1214.95
methyl propionate	3095.14
isopentyl acetate	2964.78
trichloroethylene	7160.15
n-nonanol	645.75
cyclohexanol	4563.41
benzyl alcohol	1239.62
2-ethylhexanol	1449.71
isooctanol	704.38
dipropyl ether	1899.16
1,2-dichlorobenzene	1816.93
ethyl lactate	671.92
propylene carbonate	2473.19
n-methylformamide	2680.81
2-pentanol	3330.88
n-pentane	659.21
1-propoxy-2-propanol	2585.47
1-methoxy-2-propyl acetate	2571.14
2-(2-methoxypropoxy) propanol	1186.62
mesitylene	835.77
ε-caprolactone	5233.9
p-cymene	444.62
epichlorohydrin	6354.29
1,1,1-trichloroethane	5545.74
2-aminoethanol	1696.92
morpholine-4-carbaldehyde	3775.93
sulfolane	5732.09
2,2,4-trimethylpentane	283.37
2-methyltetrahydrofuran	8759.11
n-hexyl acetate	2156.17
isooctane	227.21
2-(2-butoxyethoxy)ethanol	1850.65
sec-butyl acetate	1967.14
tert-butyl acetate	3598.02
decalin	422.28
glycerin	1090.32
diglyme	3335.86
acrylic acid	1576.45
isopropyl myristate	573.84
n-butyric acid	4783.69
acetyl acetate	2166.46
di(2-ethylhexyl) phthalate	493.17
ethyl propionate	2162.25
nitromethane	4462.0
1,2-diethoxyethane	3216.61
benzonitrile	1834.79
trioctyl phosphate	375.7
1-bromopropane	4113.46
gamma-valerolactone	6560.46
n-decanol	423.27
triethyl phosphate	528.39
4-methyl-2-pentanol	1554.63
propionitrile	3701.0
vinylene carbonate	1948.2
1,1,2-trichlorotrifluoroethane	3103.58
DMS	1246.81
cumene	562.61
2-octanol	681.29
2-hexanone	2853.43
octyl acetate	704.75
limonene	917.12
1,2-dimethoxyethane	4880.58
ethyl orthosilicate	590.72
tributyl phosphate	551.01
diacetone alcohol	2957.91
N,N-dimethylaniline	959.35
acrylonitrile	3054.74
aniline	2512.0
1,3-propanediol	2716.95
bromobenzene	2694.54
dibromomethane	4746.27
1,1,2,2-tetrachloroethane	6446.92
2-methyl-cyclohexyl acetate	1183.28
tetrabutyl urea	631.5
diisobutyl methanol	699.16
2-phenylethanol	1303.85
styrene	1254.06
dioctyl adipate	787.66
dimethyl sulfate	1133.65
ethyl butyrate	1757.68
methyl lactate	942.35
butyl lactate	1053.0
diethyl carbonate	873.63
propanediol butyl ether	1330.53
triethyl orthoformate	1066.71
p-tert-butyltoluene	446.95
methyl 4-tert-butylbenzoate	967.36
morpholine	9252.98
tert-butylamine	4656.3
n-dodecanol	291.02
dimethoxymethane	3238.62
ethylene carbonate	2062.98
cyrene	962.87
2-ethoxyethyl acetate	2062.56
2-ethylhexyl acetate	2213.61
1,2,4-trichlorobenzene	2096.67
4-methylpyridine	4938.82
dibutyl ether	1579.15
2,6-dimethyl-4-heptanol	699.16
DEF	4708.62
dimethyl isosorbide	1981.96
tetrachloroethylene	4171.82
eugenol	882.74
triacetin	1266.11
span 80	1113.16
1,4-butanediol	890.83
1,1-dichloroethane	6326.32
2-methyl-1-pentanol	2496.76
methyl formate	1561.14
2-methyl-1-butanol	3920.38
n-decane	104.62
butyronitrile	4223.74
3,7-dimethyl-1-octanol	922.3
1-chlorooctane	640.5
1-chlorotetradecane	178.66
n-nonane	113.58
undecane	66.95
tert-butylcyclohexane	389.9
cyclooctane	271.19
cyclopentanol	4494.27
tetrahydropyran	10274.01
tert-amyl methyl ether	4298.6
2,5,8-trioxanonane	1872.89
1-hexene	3077.23
2-isopropoxyethanol	2006.57
2,2,2-trifluoroethanol	789.47
methyl butyrate	2919.63

Scent© AI