Molecular formula
C13H26O2

SMILES
CCCCCCCCOC(=O)C(C)(C)C

Fragrance
Fruity	79.86%
Green	74.52%
Waxy	59.38%
Herbal	59.16%
Floral	58.84%
Oily	58.18%
Fatty	53.3%
Sweet	46.46%
Apple	46.28%
Fresh	42.04%

 

Flavor
Fruity	74.37%
Green	70.53%
Floral	57.28%
Sweet	54.46%
Waxy	53.51%
Rose	42.46%
Oily	39.34%
Tropical	38.46%
Apple	37.55%
Herbal	34.76%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
8.46 (weak base)

Molecular weight
214.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
244°C

Flash point

• 98.87 ˚C est.

• Octyl pivalate
• Octyl pivalate #
• Octyl Neopentanoate
• 2,2-Dimethylpropionic acid, octyl ester
• SCHEMBL128589
• 2,2-dimethyl-propionic acid octyl ester
• Propanoic acid, 2,2-dimethyl-, octyl ester

2,2-Dimethylpropionic acid, octyl ester is commonly used as a plasticizer for polymers and coatings, notably vinyl resins, to improve flexibility and processability. It also serves as a processing solvent and carrier in coatings, inks, and adhesive formulations, supporting film formation and gloss. As a chemical intermediate, it can be used in the synthesis of specialty esters and related products. In perfumery and cosmetics, it may be used as a fragrance solvent and as an emollient or carrier in formulations. It can also function as a formulation aid in industrial manufacturing where controlled solvency and volatility are desirable.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	10836.24
methanol	9293.54
isopropanol	11318.16
water	0.79
ethyl acetate	17104.71
n-propanol	9676.35
acetone	14674.03
n-butanol	10522.95
acetonitrile	11458.36
DMF	9409.44
toluene	5682.09
isobutanol	9245.36
1,4-dioxane	11373.13
methyl acetate	9536.35
THF	12817.16
2-butanone	13196.71
n-pentanol	7294.36
sec-butanol	12187.66
n-hexane	6123.7
ethylene glycol	525.8
NMP	5824.49
cyclohexane	6035.81
DMSO	5198.91
n-butyl acetate	17182.27
n-octanol	5595.62
chloroform	21242.25
n-propyl acetate	12170.02
acetic acid	6283.23
dichloromethane	17478.78
cyclohexanone	15669.59
propylene glycol	1284.88
isopropyl acetate	13723.15
DMAc	7642.13
2-ethoxyethanol	6513.86
isopentanol	11134.57
n-heptane	2962.65
ethyl formate	8252.2
1,2-dichloroethane	11937.94
n-hexanol	9188.89
2-methoxyethanol	8592.6
isobutyl acetate	7982.86
tetrachloromethane	5329.07
n-pentyl acetate	9963.58
transcutol	17609.83
n-heptanol	5101.89
ethylbenzene	4686.66
MIBK	8995.5
2-propoxyethanol	8684.69
tert-butanol	14831.41
MTBE	20130.32
2-butoxyethanol	6392.91
propionic acid	5511.54
o-xylene	4254.24
formic acid	1117.04
diethyl ether	15907.14
m-xylene	4520.66
p-xylene	6752.83
chlorobenzene	6784.1
dimethyl carbonate	2237.68
n-octane	1450.75
formamide	1836.21
cyclopentanone	10569.51
2-pentanone	13753.38
anisole	5849.1
cyclopentyl methyl ether	9912.99
gamma-butyrolactone	9835.82
1-methoxy-2-propanol	7519.78
pyridine	9507.03
3-pentanone	8817.6
furfural	7251.66
n-dodecane	623.93
diethylene glycol	3028.8
diisopropyl ether	7054.94
tert-amyl alcohol	15002.47
acetylacetone	10018.46
n-hexadecane	751.88
acetophenone	5327.78
methyl propionate	8557.12
isopentyl acetate	14529.85
trichloroethylene	19692.42
n-nonanol	4390.83
cyclohexanol	10038.77
benzyl alcohol	3779.48
2-ethylhexanol	7447.88
isooctanol	5034.85
dipropyl ether	9570.18
1,2-dichlorobenzene	6137.02
ethyl lactate	2656.17
propylene carbonate	7207.2
n-methylformamide	4967.13
2-pentanol	10632.37
n-pentane	3339.69
1-propoxy-2-propanol	8772.47
1-methoxy-2-propyl acetate	8376.44
2-(2-methoxypropoxy) propanol	3950.14
mesitylene	3092.32
ε-caprolactone	13209.47
p-cymene	3055.51
epichlorohydrin	11634.05
1,1,1-trichloroethane	17173.6
2-aminoethanol	2012.79
morpholine-4-carbaldehyde	7733.23
sulfolane	7336.91
2,2,4-trimethylpentane	1825.5
2-methyltetrahydrofuran	13929.53
n-hexyl acetate	11483.06
isooctane	1493.78
2-(2-butoxyethoxy)ethanol	6159.02
sec-butyl acetate	10311.37
tert-butyl acetate	12187.27
decalin	2554.58
glycerin	1205.91
diglyme	10876.48
acrylic acid	3177.49
isopropyl myristate	3444.68
n-butyric acid	12975.5
acetyl acetate	7554.11
di(2-ethylhexyl) phthalate	1989.09
ethyl propionate	9625.17
nitromethane	10425.9
1,2-diethoxyethane	11459.06
benzonitrile	7110.1
trioctyl phosphate	1845.67
1-bromopropane	11551.18
gamma-valerolactone	12914.51
n-decanol	2783.58
triethyl phosphate	2450.33
4-methyl-2-pentanol	5947.28
propionitrile	10970.33
vinylene carbonate	6274.27
1,1,2-trichlorotrifluoroethane	6714.18
DMS	4212.82
cumene	3320.75
2-octanol	4818.95
2-hexanone	10800.94
octyl acetate	4046.91
limonene	5137.43
1,2-dimethoxyethane	13133.96
ethyl orthosilicate	2897.23
tributyl phosphate	2492.8
diacetone alcohol	7854.88
N,N-dimethylaniline	4018.58
acrylonitrile	8604.2
aniline	4937.86
1,3-propanediol	4203.64
bromobenzene	8045.88
dibromomethane	13624.67
1,1,2,2-tetrachloroethane	17612.12
2-methyl-cyclohexyl acetate	5692.42
tetrabutyl urea	2757.8
diisobutyl methanol	3935.56
2-phenylethanol	4046.81
styrene	5009.58
dioctyl adipate	3595.36
dimethyl sulfate	2410.22
ethyl butyrate	10189.09
methyl lactate	2219.09
butyl lactate	4805.84
diethyl carbonate	4995.57
propanediol butyl ether	4595.85
triethyl orthoformate	5656.0
p-tert-butyltoluene	2818.01
methyl 4-tert-butylbenzoate	4142.46
morpholine	13486.34
tert-butylamine	11663.66
n-dodecanol	1927.96
dimethoxymethane	6880.33
ethylene carbonate	6578.33
cyrene	2366.78
2-ethoxyethyl acetate	7644.09
2-ethylhexyl acetate	11245.73
1,2,4-trichlorobenzene	6247.95
4-methylpyridine	12181.94
dibutyl ether	9839.37
2,6-dimethyl-4-heptanol	3935.56
DEF	12371.94
dimethyl isosorbide	5323.49
tetrachloroethylene	11880.88
eugenol	3454.61
triacetin	4913.24
span 80	3920.16
1,4-butanediol	1968.75
1,1-dichloroethane	17147.94
2-methyl-1-pentanol	7619.0
methyl formate	3461.55
2-methyl-1-butanol	9957.9
n-decane	1469.93
butyronitrile	15231.76
3,7-dimethyl-1-octanol	5691.78
1-chlorooctane	4990.77
1-chlorotetradecane	1429.37
n-nonane	1750.98
undecane	887.79
tert-butylcyclohexane	2555.62
cyclooctane	2047.67
cyclopentanol	7327.45
tetrahydropyran	17312.85
tert-amyl methyl ether	13560.86
2,5,8-trioxanonane	5384.52
1-hexene	12068.73
2-isopropoxyethanol	5906.77
2,2,2-trifluoroethanol	1592.4
methyl butyrate	14147.77

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