Molecular formula
C28H42O

SMILES
CC(CC1=CC=CC=C1)CC(C)(C)COCC(C)(C)CC(C)CC2=CC=CC=C2

Fragrance
Floral	74.57%
Green	68.19%
Woody	46.62%
Rose	41.99%
Muguet	38.86%
Lily	36.38%
Waxy	34.18%
Fresh	33.48%
Metallic	28.25%
Vetiver	27.97%

 

Flavor
Green	44.54%
Floral	32.54%
Mild	26.39%
Oily	23.82%
Waxy	22.31%
Earthy	20.28%
Leaf	19.96%
Green pepper	19.55%
Delicate	19.47%
Rose acetate	19.45%

 

Odor impact est.
Low

XLogP3-AA
8.7

pKa est.
5.56 (weak acid)

Molecular weight
394.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
450°C

Flash point

• 190.21 ˚C est.

Applications for [2,4,4-Trimethyl-5-(2,2,4-trimethyl-5-phenylpentoxy)pentyl]benzene include its use as a specialty intermediate in organic synthesis, its role as a fragrance ingredient and potential fixative in perfumery, and as a processing aid or compatibility modifier in polymer and coating formulations to influence solubility and miscibility; it may also function as a lipophilic solvent or carrier in niche cleaning or household product formulations, with use generally governed by local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	78.7
methanol	46.34
isopropanol	38.72
water	0.11
ethyl acetate	264.53
n-propanol	87.96
acetone	147.13
n-butanol	114.7
acetonitrile	51.53
DMF	100.92
toluene	288.61
isobutanol	76.43
1,4-dioxane	281.94
methyl acetate	155.94
THF	679.32
2-butanone	221.37
n-pentanol	129.24
sec-butanol	75.18
n-hexane	96.3
ethylene glycol	2.67
NMP	275.81
cyclohexane	107.09
DMSO	84.11
n-butyl acetate	382.03
n-octanol	95.8
chloroform	877.95
n-propyl acetate	308.95
acetic acid	87.01
dichloromethane	847.03
cyclohexanone	448.89
propylene glycol	8.61
isopropyl acetate	240.92
DMAc	220.95
2-ethoxyethanol	151.44
isopentanol	127.31
n-heptane	128.34
ethyl formate	127.19
1,2-dichloroethane	434.6
n-hexanol	151.6
2-methoxyethanol	106.85
isobutyl acetate	283.6
tetrachloromethane	123.14
n-pentyl acetate	330.48
transcutol	580.71
n-heptanol	127.45
ethylbenzene	200.48
MIBK	236.21
2-propoxyethanol	212.02
tert-butanol	59.33
MTBE	216.07
2-butoxyethanol	210.48
propionic acid	74.51
o-xylene	159.7
formic acid	15.91
diethyl ether	269.24
m-xylene	216.81
p-xylene	227.0
chlorobenzene	349.22
dimethyl carbonate	65.98
n-octane	39.52
formamide	22.94
cyclopentanone	400.27
2-pentanone	266.54
anisole	287.65
cyclopentyl methyl ether	440.17
gamma-butyrolactone	384.87
1-methoxy-2-propanol	108.11
pyridine	315.94
3-pentanone	220.28
furfural	302.05
n-dodecane	17.04
diethylene glycol	55.61
diisopropyl ether	144.77
tert-amyl alcohol	104.18
acetylacetone	249.42
n-hexadecane	19.83
acetophenone	270.25
methyl propionate	192.53
isopentyl acetate	398.26
trichloroethylene	765.8
n-nonanol	105.23
cyclohexanol	139.74
benzyl alcohol	152.16
2-ethylhexanol	206.51
isooctanol	136.35
dipropyl ether	434.25
1,2-dichlorobenzene	322.8
ethyl lactate	99.88
propylene carbonate	277.22
n-methylformamide	53.11
2-pentanol	95.83
n-pentane	55.32
1-propoxy-2-propanol	229.29
1-methoxy-2-propyl acetate	338.66
2-(2-methoxypropoxy) propanol	184.38
mesitylene	137.17
ε-caprolactone	450.25
p-cymene	175.85
epichlorohydrin	549.61
1,1,1-trichloroethane	421.97
2-aminoethanol	16.52
morpholine-4-carbaldehyde	266.67
sulfolane	338.67
2,2,4-trimethylpentane	52.27
2-methyltetrahydrofuran	509.5
n-hexyl acetate	321.3
isooctane	38.19
2-(2-butoxyethoxy)ethanol	234.64
sec-butyl acetate	271.32
tert-butyl acetate	300.57
decalin	85.62
glycerin	12.64
diglyme	514.0
acrylic acid	48.09
isopropyl myristate	140.79
n-butyric acid	205.07
acetyl acetate	166.44
di(2-ethylhexyl) phthalate	114.65
ethyl propionate	262.6
nitromethane	128.87
1,2-diethoxyethane	376.57
benzonitrile	172.79
trioctyl phosphate	81.24
1-bromopropane	390.88
gamma-valerolactone	508.37
n-decanol	71.47
triethyl phosphate	170.39
4-methyl-2-pentanol	90.15
propionitrile	89.4
vinylene carbonate	235.3
1,1,2-trichlorotrifluoroethane	215.57
DMS	156.48
cumene	156.15
2-octanol	86.01
2-hexanone	305.46
octyl acetate	162.25
limonene	250.04
1,2-dimethoxyethane	356.28
ethyl orthosilicate	200.04
tributyl phosphate	99.68
diacetone alcohol	193.87
N,N-dimethylaniline	213.8
acrylonitrile	73.17
aniline	158.16
1,3-propanediol	37.5
bromobenzene	431.27
dibromomethane	598.42
1,1,2,2-tetrachloroethane	602.65
2-methyl-cyclohexyl acetate	355.35
tetrabutyl urea	122.81
diisobutyl methanol	134.83
2-phenylethanol	185.65
styrene	205.63
dioctyl adipate	200.99
dimethyl sulfate	89.54
ethyl butyrate	406.64
methyl lactate	56.98
butyl lactate	183.39
diethyl carbonate	219.45
propanediol butyl ether	97.93
triethyl orthoformate	340.79
p-tert-butyltoluene	162.55
methyl 4-tert-butylbenzoate	249.21
morpholine	308.41
tert-butylamine	56.34
n-dodecanol	53.11
dimethoxymethane	187.63
ethylene carbonate	210.61
cyrene	195.21
2-ethoxyethyl acetate	341.22
2-ethylhexyl acetate	393.58
1,2,4-trichlorobenzene	340.98
4-methylpyridine	338.33
dibutyl ether	263.56
2,6-dimethyl-4-heptanol	134.83
DEF	236.22
dimethyl isosorbide	418.88
tetrachloroethylene	345.99
eugenol	192.45
triacetin	271.29
span 80	175.65
1,4-butanediol	23.01
1,1-dichloroethane	378.88
2-methyl-1-pentanol	162.26
methyl formate	50.82
2-methyl-1-butanol	128.61
n-decane	41.65
butyronitrile	138.73
3,7-dimethyl-1-octanol	122.82
1-chlorooctane	142.83
1-chlorotetradecane	48.37
n-nonane	42.16
undecane	24.36
tert-butylcyclohexane	85.73
cyclooctane	61.48
cyclopentanol	105.16
tetrahydropyran	452.81
tert-amyl methyl ether	241.0
2,5,8-trioxanonane	285.03
1-hexene	211.77
2-isopropoxyethanol	146.66
2,2,2-trifluoroethanol	29.61
methyl butyrate	337.35

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