Molecular formula
C7H14O2

SMILES
CCCCC(=O)CCO

Fragrance
Green	60.16%
Cheesy	51.28%
Fruity	47.14%
Earthy	39.19%
Oily	37.02%
Pungent	36.98%
Fatty	35.73%
Mushroom	34.79%
Herbal	34.29%
Sweet	34.02%

 

Flavor
Sweet	44.55%
Cheese	40.77%
Sweat	30.63%
Rancid	29.27%
Sour	28.37%
Fatty	28.25%
Fruity	28.22%
Pungent	27.42%
Acidic	27.28%
Butter	26.39%

 

Odor impact est.
High

XLogP3-AA
0.6

pKa est.
8.7 (weak base)

Molecular weight
130.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
224°C

Flash point

• 96.42 ˚C est.

• 1-hydroxy-3-heptanone
• 1-hydroxy-heptan-3-one
• SCHEMBL94904

1-Hydroxy-3-heptanone is primarily used as an intermediate in organic synthesis for fragrance and flavor chemistry, serving as a building block to access downstream aroma compounds and flavors. It is commonly evaluated as a fragrance ingredient or odorant in perfumery and cosmetic formulations, contributing to specific aroma notes. In cosmetics and personal care, it may be used as a scent component under regulatory controls. It can also function as a reactive intermediate in pharmaceutical and fine chemical synthesis, enabling access to more complex molecules. In industrial manufacturing, it may be employed in polymer or specialty chemical routes as a precursor or functional intermediate, depending on process needs and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3866.37
methanol	6801.58
isopropanol	2900.07
water	16.87
ethyl acetate	511.28
n-propanol	2601.69
acetone	2103.12
n-butanol	2098.02
acetonitrile	1042.96
DMF	2557.88
toluene	125.92
isobutanol	1567.15
1,4-dioxane	1243.84
methyl acetate	567.91
THF	1886.68
2-butanone	813.16
n-pentanol	952.78
sec-butanol	1511.22
n-hexane	103.55
ethylene glycol	1376.39
NMP	1332.21
cyclohexane	122.99
DMSO	3494.24
n-butyl acetate	447.37
n-octanol	299.68
chloroform	1227.32
n-propyl acetate	347.75
acetic acid	2369.89
dichloromethane	1038.65
cyclohexanone	1220.88
propylene glycol	1543.89
isopropyl acetate	268.0
DMAc	886.87
2-ethoxyethanol	972.35
isopentanol	1204.59
n-heptane	60.37
ethyl formate	580.22
1,2-dichloroethane	643.79
n-hexanol	888.47
2-methoxyethanol	2479.9
isobutyl acetate	220.02
tetrachloromethane	232.08
n-pentyl acetate	238.83
transcutol	1908.5
n-heptanol	288.25
ethylbenzene	90.78
MIBK	310.45
2-propoxyethanol	1059.06
tert-butanol	2266.72
MTBE	643.55
2-butoxyethanol	479.04
propionic acid	1479.66
o-xylene	109.81
formic acid	1068.05
diethyl ether	526.61
m-xylene	113.62
p-xylene	130.12
chlorobenzene	286.27
dimethyl carbonate	144.54
n-octane	17.27
formamide	1037.24
cyclopentanone	1415.96
2-pentanone	643.44
anisole	258.77
cyclopentyl methyl ether	628.29
gamma-butyrolactone	1392.3
1-methoxy-2-propanol	1437.6
pyridine	779.89
3-pentanone	336.45
furfural	1050.94
n-dodecane	13.41
diethylene glycol	1038.97
diisopropyl ether	114.2
tert-amyl alcohol	1208.13
acetylacetone	554.55
n-hexadecane	14.92
acetophenone	262.49
methyl propionate	400.44
isopentyl acetate	368.97
trichloroethylene	1145.82
n-nonanol	228.72
cyclohexanol	1108.25
benzyl alcohol	351.23
2-ethylhexanol	365.58
isooctanol	213.75
dipropyl ether	308.51
1,2-dichlorobenzene	266.64
ethyl lactate	233.06
propylene carbonate	615.75
n-methylformamide	1569.48
2-pentanol	900.23
n-pentane	89.69
1-propoxy-2-propanol	729.36
1-methoxy-2-propyl acetate	341.19
2-(2-methoxypropoxy) propanol	381.82
mesitylene	80.06
ε-caprolactone	825.6
p-cymene	84.37
epichlorohydrin	1097.3
1,1,1-trichloroethane	581.46
2-aminoethanol	2209.81
morpholine-4-carbaldehyde	1080.74
sulfolane	1710.38
2,2,4-trimethylpentane	36.79
2-methyltetrahydrofuran	1155.32
n-hexyl acetate	368.55
isooctane	31.26
2-(2-butoxyethoxy)ethanol	589.07
sec-butyl acetate	187.66
tert-butyl acetate	302.69
decalin	45.17
glycerin	1488.36
diglyme	955.0
acrylic acid	1204.08
isopropyl myristate	117.81
n-butyric acid	1686.06
acetyl acetate	263.41
di(2-ethylhexyl) phthalate	146.88
ethyl propionate	238.92
nitromethane	1927.42
1,2-diethoxyethane	387.94
benzonitrile	457.6
trioctyl phosphate	124.68
1-bromopropane	404.99
gamma-valerolactone	1405.26
n-decanol	157.01
triethyl phosphate	120.09
4-methyl-2-pentanol	349.6
propionitrile	857.88
vinylene carbonate	552.15
1,1,2-trichlorotrifluoroethane	1075.26
DMS	220.57
cumene	76.8
2-octanol	187.83
2-hexanone	431.49
octyl acetate	164.98
limonene	153.13
1,2-dimethoxyethane	1152.83
ethyl orthosilicate	120.89
tributyl phosphate	146.2
diacetone alcohol	569.46
N,N-dimethylaniline	173.18
acrylonitrile	996.17
aniline	422.25
1,3-propanediol	2137.07
bromobenzene	227.89
dibromomethane	696.79
1,1,2,2-tetrachloroethane	1018.36
2-methyl-cyclohexyl acetate	212.18
tetrabutyl urea	191.54
diisobutyl methanol	182.98
2-phenylethanol	316.74
styrene	126.87
dioctyl adipate	202.92
dimethyl sulfate	300.76
ethyl butyrate	264.4
methyl lactate	369.26
butyl lactate	282.25
diethyl carbonate	163.5
propanediol butyl ether	648.67
triethyl orthoformate	183.78
p-tert-butyltoluene	82.49
methyl 4-tert-butylbenzoate	245.76
morpholine	1863.39
tert-butylamine	1209.56
n-dodecanol	111.61
dimethoxymethane	682.05
ethylene carbonate	449.16
cyrene	331.05
2-ethoxyethyl acetate	285.47
2-ethylhexyl acetate	245.14
1,2,4-trichlorobenzene	316.08
4-methylpyridine	650.18
dibutyl ether	228.98
2,6-dimethyl-4-heptanol	182.98
DEF	703.71
dimethyl isosorbide	476.59
tetrachloroethylene	732.5
eugenol	285.33
triacetin	313.64
span 80	411.43
1,4-butanediol	761.75
1,1-dichloroethane	723.32
2-methyl-1-pentanol	582.53
methyl formate	816.63
2-methyl-1-butanol	1056.42
n-decane	24.31
butyronitrile	960.87
3,7-dimethyl-1-octanol	262.62
1-chlorooctane	119.13
1-chlorotetradecane	40.25
n-nonane	25.91
undecane	17.13
tert-butylcyclohexane	45.41
cyclooctane	29.52
cyclopentanol	1568.07
tetrahydropyran	1322.97
tert-amyl methyl ether	365.17
2,5,8-trioxanonane	612.23
1-hexene	335.42
2-isopropoxyethanol	524.29
2,2,2-trifluoroethanol	519.36
methyl butyrate	428.82

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