Molecular formula
C13H28O2

SMILES
CCCCCCC(OC(C)C)OC(C)C

Fragrance
Green	94.19%
Fruity	57.22%
Cognac	54.12%
Alcoholic	50.28%
Ethereal	48.87%
Fermented	44.32%
Apple	42.2%
Oily	41.73%
Vegetable	41.23%
Herbal	38.87%

 

Flavor
Green	58.01%
Fruity	48.19%
Tropical	32.68%
Oily	30.27%
Fresh	28.83%
Ethereal	28.28%
Earthy	26.78%
Fermented	26.48%
Mushroom	26.38%
Waxy	25.85%

 

Odor impact est.
Medium

XLogP3-AA
4.6

pKa est.
8.1 (weak base)

Molecular weight
216.36 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
219°C

Flash point

• 74.81 ˚C est.

• SCHEMBL14779988

1,1-Di(propan-2-yloxy)heptane is typically used as a non-polar solvent and processing aid in industrial formulations, including coatings, inks, and adhesives, where it helps adjust viscosity and component compatibility. It serves as an intermediate or processing component in polymer and plastics manufacturing, contributing to formulation flexibility and handling. It can function as a plasticizer or diluent within polymer systems to improve processability. It is employed as an industrial cleaning and degreasing solvent for maintenance and equipment preparation. In cosmetics and personal care, it may be used as a solvent component in formulations for fragrance compounds and other ingredients, subject to formulation limits and regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3257.96
methanol	2437.39
isopropanol	3970.44
water	0.71
ethyl acetate	4364.19
n-propanol	3791.6
acetone	4292.4
n-butanol	4223.34
acetonitrile	2314.53
DMF	2701.41
toluene	3883.17
isobutanol	3921.4
1,4-dioxane	6022.91
methyl acetate	2928.95
THF	8450.31
2-butanone	3999.92
n-pentanol	3423.75
sec-butanol	5061.33
n-hexane	8923.75
ethylene glycol	273.06
NMP	4401.83
cyclohexane	11734.56
DMSO	3010.99
n-butyl acetate	6146.44
n-octanol	3357.17
chloroform	13973.95
n-propyl acetate	3583.23
acetic acid	2598.19
dichloromethane	9506.89
cyclohexanone	9617.41
propylene glycol	719.98
isopropyl acetate	3843.93
DMAc	3201.37
2-ethoxyethanol	1954.98
isopentanol	4469.54
n-heptane	6692.11
ethyl formate	2117.05
1,2-dichloroethane	5514.86
n-hexanol	5833.32
2-methoxyethanol	2463.95
isobutyl acetate	2924.95
tetrachloromethane	3883.06
n-pentyl acetate	4290.05
transcutol	5549.51
n-heptanol	2585.86
ethylbenzene	2658.45
MIBK	2956.1
2-propoxyethanol	3512.74
tert-butanol	5606.3
MTBE	6956.04
2-butoxyethanol	2271.85
propionic acid	2695.19
o-xylene	2628.42
formic acid	395.93
diethyl ether	6346.33
m-xylene	2593.21
p-xylene	3942.0
chlorobenzene	4065.63
dimethyl carbonate	841.9
n-octane	2062.48
formamide	442.07
cyclopentanone	6212.6
2-pentanone	4165.12
anisole	2287.93
cyclopentyl methyl ether	7299.7
gamma-butyrolactone	5348.45
1-methoxy-2-propanol	2528.1
pyridine	4978.06
3-pentanone	3669.52
furfural	3400.16
n-dodecane	1000.92
diethylene glycol	1250.38
diisopropyl ether	3471.26
tert-amyl alcohol	6073.38
acetylacetone	3342.57
n-hexadecane	1172.39
acetophenone	2251.53
methyl propionate	2733.45
isopentyl acetate	5328.67
trichloroethylene	8696.57
n-nonanol	2876.71
cyclohexanol	8201.81
benzyl alcohol	1788.33
2-ethylhexanol	4942.63
isooctanol	2286.98
dipropyl ether	6528.65
1,2-dichlorobenzene	3330.24
ethyl lactate	1179.87
propylene carbonate	3580.54
n-methylformamide	1256.06
2-pentanol	4452.1
n-pentane	4823.87
1-propoxy-2-propanol	3868.98
1-methoxy-2-propyl acetate	3078.13
2-(2-methoxypropoxy) propanol	1836.56
mesitylene	2025.64
ε-caprolactone	6996.73
p-cymene	2129.97
epichlorohydrin	4945.19
1,1,1-trichloroethane	8026.74
2-aminoethanol	793.03
morpholine-4-carbaldehyde	3211.77
sulfolane	5913.36
2,2,4-trimethylpentane	1990.77
2-methyltetrahydrofuran	9605.39
n-hexyl acetate	5946.08
isooctane	1388.28
2-(2-butoxyethoxy)ethanol	2390.12
sec-butyl acetate	2994.49
tert-butyl acetate	3937.04
decalin	3600.94
glycerin	681.77
diglyme	4081.29
acrylic acid	1536.24
isopropyl myristate	2437.66
n-butyric acid	4937.96
acetyl acetate	2688.5
di(2-ethylhexyl) phthalate	1391.35
ethyl propionate	3103.63
nitromethane	2648.27
1,2-diethoxyethane	4278.2
benzonitrile	2835.21
trioctyl phosphate	1393.9
1-bromopropane	6783.59
gamma-valerolactone	5612.92
n-decanol	2036.42
triethyl phosphate	1656.35
4-methyl-2-pentanol	2475.39
propionitrile	2997.86
vinylene carbonate	2782.23
1,1,2-trichlorotrifluoroethane	3528.44
DMS	2283.81
cumene	1934.44
2-octanol	2645.83
2-hexanone	4045.89
octyl acetate	2738.83
limonene	4570.54
1,2-dimethoxyethane	4468.11
ethyl orthosilicate	1842.81
tributyl phosphate	1797.06
diacetone alcohol	2617.28
N,N-dimethylaniline	2025.02
acrylonitrile	2214.59
aniline	2657.36
1,3-propanediol	1487.32
bromobenzene	5241.86
dibromomethane	9138.13
1,1,2,2-tetrachloroethane	9111.27
2-methyl-cyclohexyl acetate	3433.5
tetrabutyl urea	2168.0
diisobutyl methanol	2736.25
2-phenylethanol	2120.85
styrene	2959.77
dioctyl adipate	2676.29
dimethyl sulfate	1228.11
ethyl butyrate	3929.69
methyl lactate	1038.59
butyl lactate	2313.39
diethyl carbonate	2216.1
propanediol butyl ether	2042.3
triethyl orthoformate	3022.66
p-tert-butyltoluene	2066.25
methyl 4-tert-butylbenzoate	2083.75
morpholine	6563.07
tert-butylamine	5551.31
n-dodecanol	1610.63
dimethoxymethane	2153.59
ethylene carbonate	3123.38
cyrene	1392.07
2-ethoxyethyl acetate	2834.63
2-ethylhexyl acetate	4843.54
1,2,4-trichlorobenzene	3780.13
4-methylpyridine	5406.16
dibutyl ether	6530.51
2,6-dimethyl-4-heptanol	2736.25
DEF	3955.28
dimethyl isosorbide	3052.45
tetrachloroethylene	6226.41
eugenol	1537.9
triacetin	3290.84
span 80	2519.53
1,4-butanediol	789.66
1,1-dichloroethane	7105.39
2-methyl-1-pentanol	3555.02
methyl formate	1004.94
2-methyl-1-butanol	4351.84
n-decane	2122.79
butyronitrile	4132.46
3,7-dimethyl-1-octanol	3340.83
1-chlorooctane	4001.52
1-chlorotetradecane	1541.43
n-nonane	2613.1
undecane	1336.65
tert-butylcyclohexane	3020.61
cyclooctane	3881.37
cyclopentanol	5811.58
tetrahydropyran	11902.52
tert-amyl methyl ether	5524.27
2,5,8-trioxanonane	2496.89
1-hexene	9109.63
2-isopropoxyethanol	1871.36
2,2,2-trifluoroethanol	742.46
methyl butyrate	4166.96

Scent© AI