Molecular formula
C16H24O2

SMILES
CC(C)(C)C1=CC(=C(C=C1C=O)OC)C(C)(C)C

Fragrance
Woody	63.48%
Dry	47.09%
Musk	43.57%
Herbal	42.52%
Spicy	39.53%
Amber	38.54%
Leathery	38.39%
Camphoreous	34.93%
Phenolic	34.26%
Vetiver	33.22%

 

Flavor
Woody	40.93%
Camphor	38.59%
Herbal	35.19%
Phenolic	33.93%
Musty	31.94%
Green	25.15%
Spice	23.74%
Bitter	23.13%
Mild	22.11%
Green pepper	21.98%

 

Odor impact est.
Medium

XLogP3-AA
4.7

pKa est.
6.99 (neutral)

Molecular weight
248.36 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
307°C

Flash point

• 129.87 ˚C est.

• SCHEMBL4139930

2,4-Ditert-butyl-5-methoxybenzaldehyde is used primarily as a fragrance/odorant component and as an intermediate in the synthesis of specialty aroma chemicals. In perfumery and cosmetics, it can contribute distinctive woody, spicy, or resinous notes and may act as a fragrance ingredient or a potential fixative in formulations. It is often evaluated as a flavor/aroma intermediate in industrial manufacturing, enabling complex scent profiles. In household products such as air fresheners and cleaners and in coatings and inks, it may be included to impart a specific odor character. The compound may also serve as a synthetic intermediate in developing other fragrance or specialty chemical intermediates, with use governed by formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	133.22
methanol	110.45
isopropanol	112.4
water	0.29
ethyl acetate	234.34
n-propanol	156.94
acetone	244.55
n-butanol	154.15
acetonitrile	190.57
DMF	471.63
toluene	354.35
isobutanol	140.27
1,4-dioxane	437.35
methyl acetate	293.42
THF	901.65
2-butanone	332.37
n-pentanol	120.17
sec-butanol	144.44
n-hexane	53.49
ethylene glycol	31.82
NMP	772.53
cyclohexane	104.67
DMSO	199.13
n-butyl acetate	284.47
n-octanol	111.97
chloroform	1235.69
n-propyl acetate	206.65
acetic acid	160.79
dichloromethane	854.91
cyclohexanone	619.0
propylene glycol	72.76
isopropyl acetate	160.71
DMAc	430.37
2-ethoxyethanol	134.46
isopentanol	131.09
n-heptane	47.61
ethyl formate	228.98
1,2-dichloroethane	509.49
n-hexanol	212.32
2-methoxyethanol	204.12
isobutyl acetate	178.27
tetrachloromethane	186.79
n-pentyl acetate	184.6
transcutol	230.13
n-heptanol	126.38
ethylbenzene	217.35
MIBK	168.25
2-propoxyethanol	260.21
tert-butanol	147.25
MTBE	172.5
2-butoxyethanol	169.8
propionic acid	183.36
o-xylene	225.53
formic acid	49.67
diethyl ether	165.05
m-xylene	240.71
p-xylene	282.5
chlorobenzene	466.7
dimethyl carbonate	147.1
n-octane	22.18
formamide	78.62
cyclopentanone	775.38
2-pentanone	237.18
anisole	299.97
cyclopentyl methyl ether	385.11
gamma-butyrolactone	774.29
1-methoxy-2-propanol	182.02
pyridine	561.68
3-pentanone	226.97
furfural	644.45
n-dodecane	16.27
diethylene glycol	143.54
diisopropyl ether	69.4
tert-amyl alcohol	156.23
acetylacetone	258.99
n-hexadecane	18.94
acetophenone	306.51
methyl propionate	248.64
isopentyl acetate	264.35
trichloroethylene	1120.81
n-nonanol	102.88
cyclohexanol	249.44
benzyl alcohol	231.09
2-ethylhexanol	168.84
isooctanol	106.22
dipropyl ether	155.04
1,2-dichlorobenzene	412.85
ethyl lactate	137.1
propylene carbonate	537.04
n-methylformamide	206.79
2-pentanol	110.61
n-pentane	43.05
1-propoxy-2-propanol	203.23
1-methoxy-2-propyl acetate	254.27
2-(2-methoxypropoxy) propanol	156.35
mesitylene	146.92
ε-caprolactone	560.1
p-cymene	149.63
epichlorohydrin	787.91
1,1,1-trichloroethane	612.91
2-aminoethanol	79.12
morpholine-4-carbaldehyde	526.0
sulfolane	745.6
2,2,4-trimethylpentane	29.91
2-methyltetrahydrofuran	578.78
n-hexyl acetate	246.59
isooctane	20.82
2-(2-butoxyethoxy)ethanol	171.06
sec-butyl acetate	158.39
tert-butyl acetate	195.98
decalin	63.25
glycerin	78.13
diglyme	303.62
acrylic acid	168.25
isopropyl myristate	112.57
n-butyric acid	245.65
acetyl acetate	179.25
di(2-ethylhexyl) phthalate	127.45
ethyl propionate	194.67
nitromethane	286.66
1,2-diethoxyethane	147.01
benzonitrile	335.55
trioctyl phosphate	97.9
1-bromopropane	336.5
gamma-valerolactone	762.24
n-decanol	80.14
triethyl phosphate	132.93
4-methyl-2-pentanol	78.49
propionitrile	231.1
vinylene carbonate	462.74
1,1,2-trichlorotrifluoroethane	436.87
DMS	204.6
cumene	143.64
2-octanol	96.2
2-hexanone	220.53
octyl acetate	146.95
limonene	181.91
1,2-dimethoxyethane	290.97
ethyl orthosilicate	124.74
tributyl phosphate	106.83
diacetone alcohol	205.15
N,N-dimethylaniline	230.2
acrylonitrile	278.02
aniline	288.31
1,3-propanediol	105.97
bromobenzene	531.69
dibromomethane	654.61
1,1,2,2-tetrachloroethane	915.73
2-methyl-cyclohexyl acetate	257.03
tetrabutyl urea	139.23
diisobutyl methanol	87.17
2-phenylethanol	283.35
styrene	239.9
dioctyl adipate	170.63
dimethyl sulfate	225.45
ethyl butyrate	224.84
methyl lactate	150.55
butyl lactate	159.79
diethyl carbonate	167.68
propanediol butyl ether	144.49
triethyl orthoformate	162.84
p-tert-butyltoluene	147.36
methyl 4-tert-butylbenzoate	239.72
morpholine	513.25
tert-butylamine	111.83
n-dodecanol	62.77
dimethoxymethane	247.52
ethylene carbonate	361.32
cyrene	273.47
2-ethoxyethyl acetate	196.47
2-ethylhexyl acetate	241.66
1,2,4-trichlorobenzene	488.66
4-methylpyridine	606.09
dibutyl ether	110.41
2,6-dimethyl-4-heptanol	87.17
DEF	288.75
dimethyl isosorbide	374.37
tetrachloroethylene	510.63
eugenol	226.06
triacetin	204.7
span 80	185.29
1,4-butanediol	59.95
1,1-dichloroethane	551.65
2-methyl-1-pentanol	122.36
methyl formate	200.1
2-methyl-1-butanol	142.64
n-decane	27.17
butyronitrile	250.34
3,7-dimethyl-1-octanol	103.9
1-chlorooctane	111.65
1-chlorotetradecane	49.0
n-nonane	26.84
undecane	20.21
tert-butylcyclohexane	54.0
cyclooctane	39.08
cyclopentanol	286.26
tetrahydropyran	494.24
tert-amyl methyl ether	156.59
2,5,8-trioxanonane	209.57
1-hexene	137.38
2-isopropoxyethanol	114.66
2,2,2-trifluoroethanol	82.04
methyl butyrate	274.39

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