Molecular formula
C6H12O3

SMILES
CCC(CC(C=O)O)O

Fragrance
Fruity	46.73%
Buttery	42.85%
Sweet	37.23%
Odorless	32.29%
Fatty	29.0%
Caramellic	28.98%
Milky	28.52%
Oily	28.49%
Creamy	26.28%
Dairy	24.85%

 

Flavor
Odorless	43.31%
Bitter	30.29%
Fruity	28.29%
Pungent	26.94%
Sweet	24.22%
Sweet-like	22.71%
Very slight	22.47%
Musty	21.96%
Buttery	21.3%
Stinky	20.94%

 

Odor impact est.
Medium

XLogP3-AA
-0.3

pKa est.
6.89 (neutral)

Molecular weight
132.16 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
277°C

Flash point

• 124.6 ˚C est.

• SCHEMBL17984935

2,4-Dihydroxyhexanal is regarded as a useful intermediate in organic synthesis, with real-world applications potentially including: as a precursor for fragrance and flavor compounds in the perfume and flavor industries; as a building block or intermediate for cosmetics and personal care formulations; as a monomer or crosslinking component in polymers and plastics; as a precursor in coatings and inks formulations; and as a building block in pharmaceutical synthesis for chiral intermediates. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	158.8
methanol	436.0
isopropanol	85.21
water	128.56
ethyl acetate	21.41
n-propanol	100.74
acetone	48.49
n-butanol	72.88
acetonitrile	24.99
DMF	279.04
toluene	2.24
isobutanol	65.5
1,4-dioxane	78.51
methyl acetate	25.31
THF	146.48
2-butanone	26.18
n-pentanol	40.0
sec-butanol	63.9
n-hexane	1.12
ethylene glycol	300.78
NMP	225.87
cyclohexane	1.96
DMSO	509.92
n-butyl acetate	24.84
n-octanol	23.59
chloroform	10.04
n-propyl acetate	19.01
acetic acid	287.62
dichloromethane	12.89
cyclohexanone	70.15
propylene glycol	213.27
isopropyl acetate	16.42
DMAc	177.42
2-ethoxyethanol	134.26
isopentanol	62.15
n-heptane	2.22
ethyl formate	40.84
1,2-dichloroethane	11.85
n-hexanol	55.95
2-methoxyethanol	309.89
isobutyl acetate	13.92
tetrachloromethane	4.54
n-pentyl acetate	15.27
transcutol	219.4
n-heptanol	27.31
ethylbenzene	3.33
MIBK	24.4
2-propoxyethanol	121.56
tert-butanol	120.48
MTBE	23.24
2-butoxyethanol	63.6
propionic acid	126.76
o-xylene	5.93
formic acid	413.09
diethyl ether	9.33
m-xylene	5.61
p-xylene	5.01
chlorobenzene	5.96
dimethyl carbonate	15.37
n-octane	1.04
formamide	261.44
cyclopentanone	102.74
2-pentanone	23.8
anisole	15.5
cyclopentyl methyl ether	34.11
gamma-butyrolactone	145.83
1-methoxy-2-propanol	158.18
pyridine	20.81
3-pentanone	13.0
furfural	133.33
n-dodecane	1.13
diethylene glycol	203.5
diisopropyl ether	5.47
tert-amyl alcohol	81.4
acetylacetone	44.34
n-hexadecane	1.18
acetophenone	25.22
methyl propionate	22.73
isopentyl acetate	26.52
trichloroethylene	23.87
n-nonanol	19.88
cyclohexanol	53.89
benzyl alcohol	29.73
2-ethylhexanol	26.37
isooctanol	23.18
dipropyl ether	13.15
1,2-dichlorobenzene	9.59
ethyl lactate	33.12
propylene carbonate	69.75
n-methylformamide	168.79
2-pentanol	34.37
n-pentane	1.02
1-propoxy-2-propanol	75.34
1-methoxy-2-propyl acetate	39.49
2-(2-methoxypropoxy) propanol	70.14
mesitylene	6.37
ε-caprolactone	71.15
p-cymene	7.33
epichlorohydrin	75.87
1,1,1-trichloroethane	9.51
2-aminoethanol	297.47
morpholine-4-carbaldehyde	180.28
sulfolane	241.24
2,2,4-trimethylpentane	1.73
2-methyltetrahydrofuran	62.52
n-hexyl acetate	25.46
isooctane	1.64
2-(2-butoxyethoxy)ethanol	86.91
sec-butyl acetate	12.86
tert-butyl acetate	26.65
decalin	2.02
glycerin	341.5
diglyme	134.56
acrylic acid	129.52
isopropyl myristate	11.85
n-butyric acid	107.07
acetyl acetate	21.42
di(2-ethylhexyl) phthalate	22.03
ethyl propionate	15.78
nitromethane	198.02
1,2-diethoxyethane	25.64
benzonitrile	21.0
trioctyl phosphate	17.93
1-bromopropane	4.19
gamma-valerolactone	155.68
n-decanol	15.11
triethyl phosphate	18.27
4-methyl-2-pentanol	25.84
propionitrile	19.66
vinylene carbonate	56.8
1,1,2-trichlorotrifluoroethane	126.18
DMS	23.0
cumene	5.11
2-octanol	14.9
2-hexanone	18.78
octyl acetate	16.65
limonene	11.5
1,2-dimethoxyethane	112.99
ethyl orthosilicate	16.25
tributyl phosphate	18.69
diacetone alcohol	78.36
N,N-dimethylaniline	17.6
acrylonitrile	36.73
aniline	13.73
1,3-propanediol	278.05
bromobenzene	4.12
dibromomethane	7.34
1,1,2,2-tetrachloroethane	22.49
2-methyl-cyclohexyl acetate	27.49
tetrabutyl urea	27.55
diisobutyl methanol	17.54
2-phenylethanol	31.46
styrene	3.36
dioctyl adipate	23.75
dimethyl sulfate	49.69
ethyl butyrate	21.45
methyl lactate	59.82
butyl lactate	31.06
diethyl carbonate	15.61
propanediol butyl ether	80.37
triethyl orthoformate	19.14
p-tert-butyltoluene	7.78
methyl 4-tert-butylbenzoate	39.6
morpholine	113.95
tert-butylamine	41.34
n-dodecanol	11.43
dimethoxymethane	60.94
ethylene carbonate	43.33
cyrene	84.17
2-ethoxyethyl acetate	24.32
2-ethylhexyl acetate	17.65
1,2,4-trichlorobenzene	13.69
4-methylpyridine	17.9
dibutyl ether	10.53
2,6-dimethyl-4-heptanol	17.54
DEF	56.04
dimethyl isosorbide	98.06
tetrachloroethylene	19.69
eugenol	47.23
triacetin	37.05
span 80	61.58
1,4-butanediol	115.26
1,1-dichloroethane	6.54
2-methyl-1-pentanol	40.06
methyl formate	99.82
2-methyl-1-butanol	56.65
n-decane	1.53
butyronitrile	22.93
3,7-dimethyl-1-octanol	24.43
1-chlorooctane	5.95
1-chlorotetradecane	3.09
n-nonane	1.39
undecane	1.27
tert-butylcyclohexane	2.19
cyclooctane	1.13
cyclopentanol	95.11
tetrahydropyran	33.84
tert-amyl methyl ether	19.8
2,5,8-trioxanonane	113.08
1-hexene	3.34
2-isopropoxyethanol	72.33
2,2,2-trifluoroethanol	112.62
methyl butyrate	29.09

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