Molecular formula
C14H26O4

SMILES
CCCCCCCOC(=O)C(C)(C(=O)CCC)O

Fragrance
Fruity	76.65%
Buttery	48.82%
Sweet	45.58%
Oily	42.21%
Lactonic	40.77%
Creamy	37.02%
Fatty	36.76%
Caramellic	36.75%
Waxy	35.05%
Milky	33.12%

 

Flavor
Fruity	64.32%
Waxy	42.41%
Creamy	33.64%
Sweet	33.54%
Oily	33.19%
Green	29.89%
Berry	29.66%
Tropical	26.61%
Wine	26.47%
Fatty	26.26%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
7.63 (neutral)

Molecular weight
258.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
307°C

Flash point

• 131.64 ˚C est.

Heptyl 2-hydroxy-2-methyl-3-oxohexanoate is commonly used as an intermediate and as a fragrance-related ester; in perfumery it can function as an odorant or fragrance component, while in cosmetics and personal care it may be used as a specialty ester with solvent or texture-enhancing roles; in household products it can serve as a solvent or fragrance constituent in cleaners and air fresheners; in coatings and inks it can act as a reactive intermediate or additive in formulations; and in industrial manufacturing it is used as a building block for synthesizing other specialty esters and related intermediates.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	9945.59
methanol	14215.06
isopropanol	7119.17
water	0.96
ethyl acetate	10443.79
n-propanol	8168.89
acetone	13376.5
n-butanol	6468.07
acetonitrile	7743.25
DMF	11825.85
toluene	2736.14
isobutanol	6122.24
1,4-dioxane	7848.23
methyl acetate	7453.03
THF	10137.87
2-butanone	9957.6
n-pentanol	3532.78
sec-butanol	7372.56
n-hexane	230.52
ethylene glycol	855.09
NMP	7614.43
cyclohexane	962.32
DMSO	10449.33
n-butyl acetate	4406.44
n-octanol	966.41
chloroform	8534.18
n-propyl acetate	4057.37
acetic acid	6375.8
dichloromethane	9389.1
cyclohexanone	12347.99
propylene glycol	1598.8
isopropyl acetate	5512.29
DMAc	7079.71
2-ethoxyethanol	4415.81
isopentanol	5340.1
n-heptane	91.08
ethyl formate	5093.35
1,2-dichloroethane	8778.63
n-hexanol	2728.03
2-methoxyethanol	8919.66
isobutyl acetate	1929.03
tetrachloromethane	1382.16
n-pentyl acetate	2900.66
transcutol	8975.2
n-heptanol	1073.55
ethylbenzene	1168.75
MIBK	3907.24
2-propoxyethanol	3921.96
tert-butanol	8050.5
MTBE	8123.93
2-butoxyethanol	2269.28
propionic acid	4868.42
o-xylene	1595.66
formic acid	2299.43
diethyl ether	7156.45
m-xylene	1458.75
p-xylene	1441.27
chlorobenzene	3661.68
dimethyl carbonate	1809.43
n-octane	60.54
formamide	4691.2
cyclopentanone	10496.73
2-pentanone	8506.06
anisole	2206.36
cyclopentyl methyl ether	5554.81
gamma-butyrolactone	9940.53
1-methoxy-2-propanol	6052.23
pyridine	7392.63
3-pentanone	5034.44
furfural	6427.4
n-dodecane	45.8
diethylene glycol	2489.06
diisopropyl ether	1514.7
tert-amyl alcohol	7766.1
acetylacetone	7173.65
n-hexadecane	56.63
acetophenone	2259.18
methyl propionate	5995.7
isopentyl acetate	3594.56
trichloroethylene	13817.11
n-nonanol	773.42
cyclohexanol	6566.57
benzyl alcohol	2137.06
2-ethylhexanol	1329.5
isooctanol	901.62
dipropyl ether	1166.76
1,2-dichlorobenzene	2746.85
ethyl lactate	1130.45
propylene carbonate	5136.47
n-methylformamide	7332.15
2-pentanol	4472.81
n-pentane	307.57
1-propoxy-2-propanol	2586.83
1-methoxy-2-propyl acetate	3149.49
2-(2-methoxypropoxy) propanol	1329.56
mesitylene	858.77
ε-caprolactone	9271.79
p-cymene	515.67
epichlorohydrin	11909.39
1,1,1-trichloroethane	7137.43
2-aminoethanol	2656.66
morpholine-4-carbaldehyde	6327.95
sulfolane	9145.81
2,2,4-trimethylpentane	222.61
2-methyltetrahydrofuran	8802.56
n-hexyl acetate	3067.29
isooctane	141.31
2-(2-butoxyethoxy)ethanol	2279.69
sec-butyl acetate	2662.63
tert-butyl acetate	4538.02
decalin	292.19
glycerin	1598.78
diglyme	4783.67
acrylic acid	3254.92
isopropyl myristate	701.87
n-butyric acid	8496.11
acetyl acetate	4325.33
di(2-ethylhexyl) phthalate	623.65
ethyl propionate	3271.14
nitromethane	12186.44
1,2-diethoxyethane	3547.83
benzonitrile	3232.21
trioctyl phosphate	477.79
1-bromopropane	4919.72
gamma-valerolactone	12107.49
n-decanol	486.6
triethyl phosphate	656.34
4-methyl-2-pentanol	1763.2
propionitrile	6066.34
vinylene carbonate	4143.37
1,1,2-trichlorotrifluoroethane	5478.03
DMS	1916.3
cumene	619.24
2-octanol	907.76
2-hexanone	3636.56
octyl acetate	952.59
limonene	1023.51
1,2-dimethoxyethane	6286.91
ethyl orthosilicate	629.49
tributyl phosphate	632.05
diacetone alcohol	4211.48
N,N-dimethylaniline	1161.98
acrylonitrile	6661.7
aniline	3544.38
1,3-propanediol	4401.81
bromobenzene	3633.36
dibromomethane	6213.62
1,1,2,2-tetrachloroethane	10824.28
2-methyl-cyclohexyl acetate	1323.76
tetrabutyl urea	783.34
diisobutyl methanol	663.72
2-phenylethanol	1666.08
styrene	1568.19
dioctyl adipate	932.64
dimethyl sulfate	2520.81
ethyl butyrate	2177.29
methyl lactate	1949.41
butyl lactate	1662.19
diethyl carbonate	1232.61
propanediol butyl ether	1930.62
triethyl orthoformate	1079.16
p-tert-butyltoluene	483.29
methyl 4-tert-butylbenzoate	1448.43
morpholine	11423.62
tert-butylamine	4256.92
n-dodecanol	332.13
dimethoxymethane	5761.47
ethylene carbonate	4164.87
cyrene	1326.13
2-ethoxyethyl acetate	3243.34
2-ethylhexyl acetate	2444.0
1,2,4-trichlorobenzene	2986.95
4-methylpyridine	7487.92
dibutyl ether	1324.08
2,6-dimethyl-4-heptanol	663.72
DEF	8063.76
dimethyl isosorbide	2222.76
tetrachloroethylene	6601.66
eugenol	1359.12
triacetin	1714.15
span 80	1195.65
1,4-butanediol	1590.89
1,1-dichloroethane	9000.52
2-methyl-1-pentanol	3291.69
methyl formate	4550.1
2-methyl-1-butanol	5725.83
n-decane	91.05
butyronitrile	6768.25
3,7-dimethyl-1-octanol	1066.14
1-chlorooctane	662.24
1-chlorotetradecane	189.55
n-nonane	86.69
undecane	60.7
tert-butylcyclohexane	216.79
cyclooctane	193.65
cyclopentanol	5734.0
tetrahydropyran	10841.95
tert-amyl methyl ether	4526.93
2,5,8-trioxanonane	2338.39
1-hexene	1344.46
2-isopropoxyethanol	2606.5
2,2,2-trifluoroethanol	1858.5
methyl butyrate	5069.84

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