Molecular formula
C8H18O

SMILES
CC(C)[C@@H](C(C)(C)C)O

Fragrance
Camphoreous	52.01%
Mint	40.59%
Woody	40.17%
Fermented	38.26%
Herbal	35.03%
Earthy	31.39%
Ethereal	30.95%
Musty	28.27%
Alcoholic	27.38%
Solvent	26.8%

 

Flavor
Green	43.33%
Fruity	32.23%
Pungent	25.91%
Oily	25.49%
Tropical	24.69%
Mild	24.34%
Herbal	22.55%
Yeasty	22.34%
Catty	21.96%
Sweet	21.93%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
9.77 (weak base)

Molecular weight
130.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
151°C

Flash point

• 46.69 ˚C est.

• SCHEMBL888915

Applications of (3S)-2,2,4-trimethylpentan-3-ol include use as a chiral building block for asymmetric synthesis in pharmaceutical and agricultural chemical manufacture; it is also used as a precursor or intermediate for fragrance and flavor compounds in the perfumery and flavor industries. It may function as a solvent or processing aid in cosmetics and personal care formulations, and as a solvent or processing component in household cleaning products. In the plastics and coatings sector, it can serve as an intermediate for the synthesis of specialty monomers or as a solvent component in paint and ink production. Overall, its applications related to chiral building blocks, solvents, and intermediates for specialty chemicals are the most likely avenues, subject to formulation requirements and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	669.92
methanol	848.6
isopropanol	561.79
water	3.75
ethyl acetate	442.55
n-propanol	600.57
acetone	375.85
n-butanol	725.51
acetonitrile	323.84
DMF	303.91
toluene	241.63
isobutanol	530.76
1,4-dioxane	731.64
methyl acetate	355.52
THF	1220.94
2-butanone	428.85
n-pentanol	457.83
sec-butanol	604.15
n-hexane	463.27
ethylene glycol	133.35
NMP	482.93
cyclohexane	365.23
DMSO	255.22
n-butyl acetate	880.61
n-octanol	593.7
chloroform	1129.08
n-propyl acetate	382.7
acetic acid	524.54
dichloromethane	705.61
cyclohexanone	673.31
propylene glycol	209.82
isopropyl acetate	374.38
DMAc	342.25
2-ethoxyethanol	450.65
isopentanol	686.83
n-heptane	510.92
ethyl formate	315.04
1,2-dichloroethane	416.42
n-hexanol	1063.06
2-methoxyethanol	635.43
isobutyl acetate	325.74
tetrachloromethane	460.21
n-pentyl acetate	518.79
transcutol	1180.41
n-heptanol	619.25
ethylbenzene	203.08
MIBK	379.4
2-propoxyethanol	922.48
tert-butanol	818.56
MTBE	835.55
2-butoxyethanol	674.48
propionic acid	393.95
o-xylene	225.93
formic acid	190.02
diethyl ether	702.47
m-xylene	233.94
p-xylene	292.36
chlorobenzene	299.35
dimethyl carbonate	107.23
n-octane	171.25
formamide	157.48
cyclopentanone	646.58
2-pentanone	446.59
anisole	289.27
cyclopentyl methyl ether	707.35
gamma-butyrolactone	689.72
1-methoxy-2-propanol	514.67
pyridine	383.58
3-pentanone	327.42
furfural	503.88
n-dodecane	94.08
diethylene glycol	466.4
diisopropyl ether	406.68
tert-amyl alcohol	829.05
acetylacetone	310.91
n-hexadecane	100.67
acetophenone	263.24
methyl propionate	288.02
isopentyl acetate	834.47
trichloroethylene	701.68
n-nonanol	480.68
cyclohexanol	642.76
benzyl alcohol	221.97
2-ethylhexanol	860.49
isooctanol	496.81
dipropyl ether	835.9
1,2-dichlorobenzene	323.01
ethyl lactate	194.18
propylene carbonate	496.82
n-methylformamide	233.55
2-pentanol	592.93
n-pentane	343.83
1-propoxy-2-propanol	921.18
1-methoxy-2-propyl acetate	527.06
2-(2-methoxypropoxy) propanol	424.13
mesitylene	197.65
ε-caprolactone	665.78
p-cymene	324.16
epichlorohydrin	641.98
1,1,1-trichloroethane	661.61
2-aminoethanol	297.91
morpholine-4-carbaldehyde	509.99
sulfolane	636.75
2,2,4-trimethylpentane	223.29
2-methyltetrahydrofuran	966.79
n-hexyl acetate	703.88
isooctane	196.78
2-(2-butoxyethoxy)ethanol	609.83
sec-butyl acetate	331.19
tert-butyl acetate	514.18
decalin	203.32
glycerin	232.1
diglyme	871.59
acrylic acid	289.21
isopropyl myristate	293.92
n-butyric acid	657.49
acetyl acetate	265.47
di(2-ethylhexyl) phthalate	226.03
ethyl propionate	317.06
nitromethane	403.88
1,2-diethoxyethane	615.53
benzonitrile	310.63
trioctyl phosphate	215.72
1-bromopropane	501.52
gamma-valerolactone	711.14
n-decanol	340.03
triethyl phosphate	248.98
4-methyl-2-pentanol	443.34
propionitrile	386.49
vinylene carbonate	379.63
1,1,2-trichlorotrifluoroethane	517.89
DMS	266.42
cumene	204.22
2-octanol	449.72
2-hexanone	427.77
octyl acetate	343.66
limonene	500.27
1,2-dimethoxyethane	641.73
ethyl orthosilicate	295.66
tributyl phosphate	257.29
diacetone alcohol	474.46
N,N-dimethylaniline	242.25
acrylonitrile	306.43
aniline	256.03
1,3-propanediol	422.8
bromobenzene	315.97
dibromomethane	629.73
1,1,2,2-tetrachloroethane	708.37
2-methyl-cyclohexyl acetate	522.61
tetrabutyl urea	272.26
diisobutyl methanol	518.35
2-phenylethanol	381.69
styrene	197.67
dioctyl adipate	313.12
dimethyl sulfate	152.88
ethyl butyrate	564.53
methyl lactate	166.38
butyl lactate	391.81
diethyl carbonate	349.5
propanediol butyl ether	498.6
triethyl orthoformate	475.54
p-tert-butyltoluene	336.71
methyl 4-tert-butylbenzoate	387.08
morpholine	794.02
tert-butylamine	741.83
n-dodecanol	254.79
dimethoxymethane	332.7
ethylene carbonate	367.69
cyrene	300.09
2-ethoxyethyl acetate	432.27
2-ethylhexyl acetate	715.15
1,2,4-trichlorobenzene	346.04
4-methylpyridine	415.7
dibutyl ether	613.72
2,6-dimethyl-4-heptanol	518.35
DEF	384.03
dimethyl isosorbide	666.06
tetrachloroethylene	574.89
eugenol	320.05
triacetin	344.02
span 80	455.16
1,4-butanediol	193.57
1,1-dichloroethane	531.44
2-methyl-1-pentanol	463.84
methyl formate	199.46
2-methyl-1-butanol	641.61
n-decane	172.55
butyronitrile	530.07
3,7-dimethyl-1-octanol	556.18
1-chlorooctane	384.38
1-chlorotetradecane	152.76
n-nonane	197.31
undecane	120.91
tert-butylcyclohexane	258.31
cyclooctane	180.58
cyclopentanol	586.96
tetrahydropyran	863.84
tert-amyl methyl ether	696.86
2,5,8-trioxanonane	542.9
1-hexene	620.91
2-isopropoxyethanol	383.47
2,2,2-trifluoroethanol	192.23
methyl butyrate	401.41

Scent© AI