Molecular formula
C12H16O2

SMILES
CCCCC1(OC2=CC=CC=C2O1)C

Fragrance
Spicy	52.44%
Sweet	44.35%
Herbal	41.55%
Floral	33.51%
Phenolic	32.53%
Fruity	29.65%
Woody	28.3%
Aromatic	25.41%
Balsamic	25.19%
Animal	24.03%

 

Flavor
Sweet	50.03%
Earthy	44.77%
Green	37.02%
Musty	35.37%
Herbal	32.85%
Nutty	29.64%
Phenolic	29.2%
Spicy	28.74%
Woody	27.67%
Spice	26.89%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
8.73 (weak base)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
269°C

Flash point

• 106.0 ˚C est.

• 2-Methyl-2-butyl-1,3-benzodioxole
• SCHEMBL11003680
• HOYQJQAWZJJPRO-UHFFFAOYSA-N
• 2-butyl-2-methyl-1,3-benzo-dioxole
• 2-Butyl-2-methyl-1,3-benzodioxole #

2-Methyl-2-butyl-1,3-benzodioxole is mainly used as a fragrance ingredient and as a synthetic intermediate for complex aroma compounds; in cosmetics and personal care it can serve as a fragrance component; in the flavors domain it is considered as an aroma ingredient or precursor for flavor systems; in household cleaning products it may be added to contribute a pleasant scent; at the industrial scale it is commonly used as an intermediate or building block for fragrance-related compounds and other specialty chemicals; in coatings and inks it can function as a fragrance additive.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	430.04
methanol	517.29
isopropanol	346.65
water	0.75
ethyl acetate	497.22
n-propanol	382.91
acetone	575.38
n-butanol	386.48
acetonitrile	358.6
DMF	857.88
toluene	296.75
isobutanol	333.56
1,4-dioxane	944.25
methyl acetate	496.62
THF	1015.58
2-butanone	468.28
n-pentanol	354.68
sec-butanol	341.99
n-hexane	111.63
ethylene glycol	145.74
NMP	666.26
cyclohexane	158.41
DMSO	612.19
n-butyl acetate	542.62
n-octanol	327.62
chloroform	1859.54
n-propyl acetate	380.49
acetic acid	436.78
dichloromethane	1422.39
cyclohexanone	776.54
propylene glycol	192.32
isopropyl acetate	402.84
DMAc	801.74
2-ethoxyethanol	447.93
isopentanol	389.03
n-heptane	66.01
ethyl formate	334.84
1,2-dichloroethane	792.86
n-hexanol	486.18
2-methoxyethanol	621.28
isobutyl acetate	345.88
tetrachloromethane	235.74
n-pentyl acetate	391.28
transcutol	1308.92
n-heptanol	236.69
ethylbenzene	229.5
MIBK	321.47
2-propoxyethanol	676.88
tert-butanol	431.25
MTBE	499.39
2-butoxyethanol	365.01
propionic acid	336.47
o-xylene	196.08
formic acid	128.71
diethyl ether	491.85
m-xylene	213.92
p-xylene	298.94
chlorobenzene	494.41
dimethyl carbonate	274.72
n-octane	48.69
formamide	168.56
cyclopentanone	749.66
2-pentanone	419.18
anisole	420.82
cyclopentyl methyl ether	518.39
gamma-butyrolactone	863.12
1-methoxy-2-propanol	508.06
pyridine	638.47
3-pentanone	360.64
furfural	692.28
n-dodecane	58.3
diethylene glycol	501.74
diisopropyl ether	195.25
tert-amyl alcohol	401.5
acetylacetone	576.96
n-hexadecane	65.56
acetophenone	371.86
methyl propionate	398.44
isopentyl acetate	540.7
trichloroethylene	1322.74
n-nonanol	283.52
cyclohexanol	395.61
benzyl alcohol	320.21
2-ethylhexanol	308.31
isooctanol	205.84
dipropyl ether	298.18
1,2-dichlorobenzene	480.19
ethyl lactate	210.6
propylene carbonate	613.8
n-methylformamide	311.24
2-pentanol	288.63
n-pentane	73.96
1-propoxy-2-propanol	418.52
1-methoxy-2-propyl acetate	509.3
2-(2-methoxypropoxy) propanol	410.06
mesitylene	152.67
ε-caprolactone	743.17
p-cymene	147.93
epichlorohydrin	878.59
1,1,1-trichloroethane	667.87
2-aminoethanol	238.46
morpholine-4-carbaldehyde	808.71
sulfolane	851.02
2,2,4-trimethylpentane	57.32
2-methyltetrahydrofuran	733.74
n-hexyl acetate	630.55
isooctane	43.72
2-(2-butoxyethoxy)ethanol	545.77
sec-butyl acetate	310.29
tert-butyl acetate	397.98
decalin	104.83
glycerin	285.97
diglyme	856.24
acrylic acid	300.03
isopropyl myristate	261.24
n-butyric acid	496.94
acetyl acetate	438.39
di(2-ethylhexyl) phthalate	231.84
ethyl propionate	331.11
nitromethane	609.74
1,2-diethoxyethane	560.1
benzonitrile	456.89
trioctyl phosphate	179.23
1-bromopropane	551.4
gamma-valerolactone	904.35
n-decanol	221.18
triethyl phosphate	200.1
4-methyl-2-pentanol	218.7
propionitrile	347.49
vinylene carbonate	594.39
1,1,2-trichlorotrifluoroethane	565.64
DMS	498.23
cumene	174.48
2-octanol	204.98
2-hexanone	377.5
octyl acetate	324.85
limonene	210.3
1,2-dimethoxyethane	813.09
ethyl orthosilicate	197.37
tributyl phosphate	241.37
diacetone alcohol	346.13
N,N-dimethylaniline	282.06
acrylonitrile	398.4
aniline	314.88
1,3-propanediol	351.71
bromobenzene	595.2
dibromomethane	988.14
1,1,2,2-tetrachloroethane	1210.11
2-methyl-cyclohexyl acetate	319.13
tetrabutyl urea	294.2
diisobutyl methanol	165.26
2-phenylethanol	364.63
styrene	280.45
dioctyl adipate	328.62
dimethyl sulfate	371.2
ethyl butyrate	320.03
methyl lactate	249.52
butyl lactate	292.16
diethyl carbonate	270.17
propanediol butyl ether	382.61
triethyl orthoformate	254.17
p-tert-butyltoluene	145.97
methyl 4-tert-butylbenzoate	342.94
morpholine	835.48
tert-butylamine	319.23
n-dodecanol	181.08
dimethoxymethane	598.22
ethylene carbonate	550.58
cyrene	308.87
2-ethoxyethyl acetate	479.66
2-ethylhexyl acetate	447.26
1,2,4-trichlorobenzene	540.4
4-methylpyridine	635.64
dibutyl ether	390.57
2,6-dimethyl-4-heptanol	165.26
DEF	515.45
dimethyl isosorbide	561.52
tetrachloroethylene	747.64
eugenol	346.24
triacetin	486.51
span 80	364.9
1,4-butanediol	203.7
1,1-dichloroethane	726.54
2-methyl-1-pentanol	357.85
methyl formate	303.28
2-methyl-1-butanol	354.63
n-decane	84.81
butyronitrile	407.44
3,7-dimethyl-1-octanol	293.51
1-chlorooctane	271.43
1-chlorotetradecane	134.33
n-nonane	83.26
undecane	68.46
tert-butylcyclohexane	88.39
cyclooctane	63.87
cyclopentanol	393.76
tetrahydropyran	797.85
tert-amyl methyl ether	364.02
2,5,8-trioxanonane	638.31
1-hexene	292.09
2-isopropoxyethanol	366.64
2,2,2-trifluoroethanol	182.47
methyl butyrate	429.85

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