Molecular formula
C6H12O

SMILES
CC[C@@H](C)CC=O

Fragrance
Green	89.05%
Fruity	86.06%
Fresh	55.57%
Pungent	54.4%
Fatty	53.29%
Ethereal	49.45%
Cocoa	45.12%
Cheesy	45.05%
Aldehydic	43.43%
Vegetable	38.89%

 

Flavor
Green	74.13%
Fruity	59.89%
Fatty	51.85%
Aldehydic	45.26%
Ethereal	42.51%
Fresh	41.16%
Sweet	36.86%
Fat	35.53%
Herbal	33.2%
Earthy	32.8%

 

Odor impact est.
High

XLogP3-AA
1.5

pKa est.
7.6 (neutral)

Molecular weight
100.16 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
123°C

Flash point

• 22.11 ˚C est.

• (r)-(+)-3-methylpentanal
• SCHEMBL9421367
• YJWJGLQYQJGEEP-ZCFIWIBFSA-N

(r)-(+)-3-Methylpentanal is an enantioenriched chiral aldehyde commonly used as a building block in organic synthesis for aroma chemicals and specialty intermediates. It is typically employed as an enantioselective precursor or starting material in the synthesis of fragrance compounds, flavors, cosmetics and personal care ingredients, and household product formulations, as well as pharmaceutical and specialty chemical intermediates. Its applications are influenced by formulation requirements and local regulations, and it is commonly evaluated as a fragrance ingredient, a chiral synthesis building block, and a platform intermediate for developing specialty chemicals.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	387.39
methanol	441.51
isopropanol	305.77
water	1.64
ethyl acetate	228.23
n-propanol	314.99
acetone	255.78
n-butanol	286.21
acetonitrile	207.0
DMF	294.86
toluene	76.27
isobutanol	213.99
1,4-dioxane	450.86
methyl acetate	235.33
THF	479.77
2-butanone	230.77
n-pentanol	171.46
sec-butanol	242.24
n-hexane	46.47
ethylene glycol	133.6
NMP	308.25
cyclohexane	65.57
DMSO	321.92
n-butyl acetate	327.99
n-octanol	122.02
chloroform	659.25
n-propyl acetate	145.34
acetic acid	385.32
dichloromethane	409.87
cyclohexanone	376.48
propylene glycol	180.36
isopropyl acetate	127.57
DMAc	173.45
2-ethoxyethanol	199.3
isopentanol	226.36
n-heptane	46.09
ethyl formate	157.69
1,2-dichloroethane	254.91
n-hexanol	409.38
2-methoxyethanol	406.19
isobutyl acetate	96.05
tetrachloromethane	133.2
n-pentyl acetate	127.56
transcutol	966.14
n-heptanol	136.74
ethylbenzene	55.98
MIBK	106.25
2-propoxyethanol	443.62
tert-butanol	365.38
MTBE	179.43
2-butoxyethanol	211.22
propionic acid	337.77
o-xylene	67.95
formic acid	142.12
diethyl ether	160.42
m-xylene	67.54
p-xylene	77.64
chlorobenzene	171.53
dimethyl carbonate	52.49
n-octane	15.07
formamide	132.14
cyclopentanone	375.19
2-pentanone	172.25
anisole	120.95
cyclopentyl methyl ether	202.54
gamma-butyrolactone	439.73
1-methoxy-2-propanol	297.82
pyridine	305.84
3-pentanone	113.23
furfural	384.99
n-dodecane	11.45
diethylene glycol	323.25
diisopropyl ether	56.66
tert-amyl alcohol	253.82
acetylacetone	191.39
n-hexadecane	12.77
acetophenone	113.82
methyl propionate	150.99
isopentyl acetate	255.49
trichloroethylene	529.61
n-nonanol	105.73
cyclohexanol	264.29
benzyl alcohol	118.54
2-ethylhexanol	211.9
isooctanol	105.33
dipropyl ether	167.76
1,2-dichlorobenzene	164.46
ethyl lactate	90.98
propylene carbonate	237.04
n-methylformamide	203.27
2-pentanol	187.83
n-pentane	33.45
1-propoxy-2-propanol	366.34
1-methoxy-2-propyl acetate	243.07
2-(2-methoxypropoxy) propanol	216.6
mesitylene	49.84
ε-caprolactone	334.97
p-cymene	66.32
epichlorohydrin	382.11
1,1,1-trichloroethane	316.23
2-aminoethanol	229.41
morpholine-4-carbaldehyde	345.33
sulfolane	442.75
2,2,4-trimethylpentane	19.95
2-methyltetrahydrofuran	354.97
n-hexyl acetate	191.19
isooctane	17.97
2-(2-butoxyethoxy)ethanol	307.83
sec-butyl acetate	97.87
tert-butyl acetate	146.19
decalin	30.31
glycerin	216.88
diglyme	453.07
acrylic acid	273.85
isopropyl myristate	78.3
n-butyric acid	402.59
acetyl acetate	142.06
di(2-ethylhexyl) phthalate	82.89
ethyl propionate	117.61
nitromethane	403.34
1,2-diethoxyethane	244.52
benzonitrile	183.99
trioctyl phosphate	65.28
1-bromopropane	168.0
gamma-valerolactone	480.28
n-decanol	80.2
triethyl phosphate	76.95
4-methyl-2-pentanol	108.11
propionitrile	224.1
vinylene carbonate	237.79
1,1,2-trichlorotrifluoroethane	358.13
DMS	137.09
cumene	48.56
2-octanol	85.59
2-hexanone	140.44
octyl acetate	99.97
limonene	109.0
1,2-dimethoxyethane	285.39
ethyl orthosilicate	76.94
tributyl phosphate	82.38
diacetone alcohol	210.02
N,N-dimethylaniline	77.82
acrylonitrile	258.04
aniline	147.46
1,3-propanediol	310.73
bromobenzene	154.09
dibromomethane	292.59
1,1,2,2-tetrachloroethane	444.89
2-methyl-cyclohexyl acetate	141.79
tetrabutyl urea	94.08
diisobutyl methanol	112.71
2-phenylethanol	193.85
styrene	67.71
dioctyl adipate	112.33
dimethyl sulfate	87.07
ethyl butyrate	184.48
methyl lactate	114.69
butyl lactate	141.64
diethyl carbonate	122.59
propanediol butyl ether	217.79
triethyl orthoformate	130.59
p-tert-butyltoluene	66.06
methyl 4-tert-butylbenzoate	130.33
morpholine	488.78
tert-butylamine	220.25
n-dodecanol	62.56
dimethoxymethane	144.21
ethylene carbonate	187.16
cyrene	133.61
2-ethoxyethyl acetate	176.49
2-ethylhexyl acetate	186.51
1,2,4-trichlorobenzene	194.49
4-methylpyridine	231.13
dibutyl ether	119.92
2,6-dimethyl-4-heptanol	112.71
DEF	172.1
dimethyl isosorbide	319.43
tetrachloroethylene	341.29
eugenol	151.59
triacetin	165.66
span 80	235.55
1,4-butanediol	106.4
1,1-dichloroethane	300.25
2-methyl-1-pentanol	145.8
methyl formate	144.14
2-methyl-1-butanol	188.61
n-decane	18.49
butyronitrile	223.17
3,7-dimethyl-1-octanol	142.36
1-chlorooctane	72.39
1-chlorotetradecane	30.27
n-nonane	18.59
undecane	14.25
tert-butylcyclohexane	31.13
cyclooctane	20.72
cyclopentanol	287.87
tetrahydropyran	400.19
tert-amyl methyl ether	126.25
2,5,8-trioxanonane	318.13
1-hexene	117.97
2-isopropoxyethanol	154.89
2,2,2-trifluoroethanol	124.01
methyl butyrate	162.56

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