Molecular formula
C9H16O5

SMILES
CCCC(=O)CC(=O)OCC(CO)O

Fragrance
Fatty	52.3%
Fruity	52.17%
Buttery	46.18%
Caramellic	38.89%
Oily	31.29%
Creamy	31.08%
Sweet	29.75%
Milky	28.7%
Cheesy	26.11%
Winey	26.05%

 

Flavor
Odorless	47.01%
Fruity	45.3%
Sweet	35.65%
Creamy	29.85%
Mild	28.08%
Sour	27.71%
Fatty	27.37%
Buttery	26.92%
Very mild	26.92%
Cheese	26.34%

 

Odor impact est.
Medium

XLogP3-AA
-0.5

pKa est.
7.62 (neutral)

Molecular weight
204.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
382°C

Flash point

• 166.27 ˚C est.

• glyceryl 1-(3-oxohexanoate)
• C46MSC5YL0
• FEMA NO. 3770, 1-
• 2,3-DIHYDROXYPROPYL 3-OXOHEXANOATE
• NS00120068
• (+/-)-GLYCERYL 1-(3-OXOHEXANOATE)
• Q27275170

Glyceryl 1-(3-oxohexanoate) is the glycerol monoester of 3-oxohexanoic acid and is typically used as an intermediate in organic synthesis and as a plasticizer precursor for polymer and coating formulations. In cosmetics and personal care, it can function as a solvent carrier and a mild emollient. In fragrance applications, it may serve as a fragrance solvent or a carrier for fixatives. In coatings/inks and adhesives, it can act as a solvent additive or plasticizer to improve processability and film formation. It may also be evaluated as an intermediate in pharmaceutical synthesis or used as a component in cleaning formulations and other industrial applications, subject to regulatory requirements and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	338.2
methanol	915.52
isopropanol	159.36
water	96.3
ethyl acetate	27.39
n-propanol	165.3
acetone	167.17
n-butanol	111.22
acetonitrile	46.1
DMF	1350.26
toluene	4.27
isobutanol	89.4
1,4-dioxane	125.23
methyl acetate	42.32
THF	233.85
2-butanone	48.39
n-pentanol	62.78
sec-butanol	80.79
n-hexane	0.82
ethylene glycol	515.17
NMP	606.81
cyclohexane	1.55
DMSO	1544.15
n-butyl acetate	20.33
n-octanol	17.93
chloroform	16.25
n-propyl acetate	21.14
acetic acid	659.76
dichloromethane	19.21
cyclohexanone	110.74
propylene glycol	431.2
isopropyl acetate	21.71
DMAc	851.41
2-ethoxyethanol	284.35
isopentanol	80.02
n-heptane	0.8
ethyl formate	65.42
1,2-dichloroethane	23.01
n-hexanol	36.26
2-methoxyethanol	708.36
isobutyl acetate	15.65
tetrachloromethane	3.23
n-pentyl acetate	12.23
transcutol	365.58
n-heptanol	16.48
ethylbenzene	5.11
MIBK	32.53
2-propoxyethanol	135.96
tert-butanol	228.62
MTBE	30.55
2-butoxyethanol	63.73
propionic acid	181.09
o-xylene	8.56
formic acid	952.2
diethyl ether	11.68
m-xylene	7.56
p-xylene	7.57
chlorobenzene	7.56
dimethyl carbonate	41.29
n-octane	0.49
formamide	759.43
cyclopentanone	160.53
2-pentanone	43.15
anisole	25.52
cyclopentyl methyl ether	43.07
gamma-butyrolactone	224.01
1-methoxy-2-propanol	326.23
pyridine	41.26
3-pentanone	22.99
furfural	230.59
n-dodecane	0.65
diethylene glycol	290.35
diisopropyl ether	4.57
tert-amyl alcohol	116.85
acetylacetone	85.9
n-hexadecane	0.71
acetophenone	43.11
methyl propionate	45.15
isopentyl acetate	23.14
trichloroethylene	42.35
n-nonanol	15.87
cyclohexanol	73.64
benzyl alcohol	55.75
2-ethylhexanol	16.23
isooctanol	14.38
dipropyl ether	9.11
1,2-dichlorobenzene	11.9
ethyl lactate	51.6
propylene carbonate	99.37
n-methylformamide	495.2
2-pentanol	38.28
n-pentane	0.78
1-propoxy-2-propanol	67.87
1-methoxy-2-propyl acetate	45.12
2-(2-methoxypropoxy) propanol	95.79
mesitylene	6.83
ε-caprolactone	101.14
p-cymene	5.78
epichlorohydrin	147.83
1,1,1-trichloroethane	12.07
2-aminoethanol	525.75
morpholine-4-carbaldehyde	459.79
sulfolane	403.38
2,2,4-trimethylpentane	1.14
2-methyltetrahydrofuran	74.71
n-hexyl acetate	23.32
isooctane	0.84
2-(2-butoxyethoxy)ethanol	117.06
sec-butyl acetate	13.53
tert-butyl acetate	35.85
decalin	1.64
glycerin	693.09
diglyme	192.98
acrylic acid	222.57
isopropyl myristate	10.31
n-butyric acid	151.61
acetyl acetate	31.38
di(2-ethylhexyl) phthalate	24.41
ethyl propionate	21.26
nitromethane	525.55
1,2-diethoxyethane	29.75
benzonitrile	32.28
trioctyl phosphate	15.71
1-bromopropane	5.87
gamma-valerolactone	306.8
n-decanol	11.62
triethyl phosphate	18.76
4-methyl-2-pentanol	24.33
propionitrile	34.5
vinylene carbonate	91.28
1,1,2-trichlorotrifluoroethane	266.8
DMS	33.62
cumene	5.88
2-octanol	8.97
2-hexanone	25.28
octyl acetate	14.35
limonene	8.56
1,2-dimethoxyethane	252.12
ethyl orthosilicate	15.9
tributyl phosphate	19.47
diacetone alcohol	125.11
N,N-dimethylaniline	29.67
acrylonitrile	71.97
aniline	24.4
1,3-propanediol	477.55
bromobenzene	5.2
dibromomethane	10.25
1,1,2,2-tetrachloroethane	42.91
2-methyl-cyclohexyl acetate	25.07
tetrabutyl urea	34.38
diisobutyl methanol	11.68
2-phenylethanol	33.19
styrene	5.58
dioctyl adipate	26.5
dimethyl sulfate	123.36
ethyl butyrate	18.32
methyl lactate	116.72
butyl lactate	33.87
diethyl carbonate	16.48
propanediol butyl ether	108.2
triethyl orthoformate	17.53
p-tert-butyltoluene	5.87
methyl 4-tert-butylbenzoate	47.13
morpholine	226.95
tert-butylamine	55.15
n-dodecanol	8.8
dimethoxymethane	196.62
ethylene carbonate	70.33
cyrene	127.36
2-ethoxyethyl acetate	26.09
2-ethylhexyl acetate	14.64
1,2,4-trichlorobenzene	18.64
4-methylpyridine	40.08
dibutyl ether	9.15
2,6-dimethyl-4-heptanol	11.68
DEF	131.8
dimethyl isosorbide	129.25
tetrachloroethylene	27.98
eugenol	57.9
triacetin	49.25
span 80	75.17
1,4-butanediol	191.46
1,1-dichloroethane	10.13
2-methyl-1-pentanol	52.72
methyl formate	268.98
2-methyl-1-butanol	70.43
n-decane	0.9
butyronitrile	33.62
3,7-dimethyl-1-octanol	19.27
1-chlorooctane	4.02
1-chlorotetradecane	2.21
n-nonane	0.75
undecane	0.74
tert-butylcyclohexane	1.42
cyclooctane	0.78
cyclopentanol	111.35
tetrahydropyran	45.03
tert-amyl methyl ether	26.08
2,5,8-trioxanonane	158.82
1-hexene	3.22
2-isopropoxyethanol	113.01
2,2,2-trifluoroethanol	228.7
methyl butyrate	40.7

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