Molecular formula
C12H14O

SMILES
CC(C)C(=CC1=CC=CC=C1)C=O

Fragrance
Herbal	67.06%
Green	60.08%
Spicy	58.83%
Woody	42.49%
Fruity	38.0%
Floral	35.34%
Sweet	34.0%
Nutty	31.58%
Mint	31.12%
Warm	29.98%

 

Flavor
Green	43.32%
Bitter	36.62%
Herbal	30.51%
Floral	28.25%
Sweet	26.89%
Cocoa	24.61%
Fruity	24.53%
Spicy	23.21%
Fresh	22.41%
Butyric	21.42%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
7.77 (neutral)

Molecular weight
174.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
264°C

Flash point

• 115.41 ˚C est.

• AKOS017514346

Primarily used as an odorant and fragrance-building block, 2-Benzylidene-3-methylbutanal is employed in perfumery and flavor chemistry to impart distinctive notes or to serve as a precursor for other aroma compounds; in cosmetics and personal care, it may be included as a fragrance ingredient; in household and cleaning product formulations it can function as a fragrance additive; in industrial manufacturing it acts as an intermediate for synthesizing aroma chemicals and related specialty compounds; it is sometimes evaluated for use in coatings or inks as an odor-active additive. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	816.09
methanol	398.5
isopropanol	826.89
water	1.31
ethyl acetate	1238.17
n-propanol	904.41
acetone	1846.49
n-butanol	770.75
acetonitrile	1862.62
DMF	2472.62
toluene	530.77
isobutanol	730.32
1,4-dioxane	1306.01
methyl acetate	1360.31
THF	1351.8
2-butanone	1790.47
n-pentanol	403.45
sec-butanol	758.65
n-hexane	95.62
ethylene glycol	112.06
NMP	1176.13
cyclohexane	159.61
DMSO	1064.21
n-butyl acetate	726.67
n-octanol	205.71
chloroform	3349.99
n-propyl acetate	641.5
acetic acid	608.11
dichloromethane	3272.89
cyclohexanone	1802.43
propylene glycol	215.33
isopropyl acetate	533.55
DMAc	1193.51
2-ethoxyethanol	395.09
isopentanol	540.55
n-heptane	55.18
ethyl formate	858.73
1,2-dichloroethane	2332.89
n-hexanol	504.62
2-methoxyethanol	720.55
isobutyl acetate	334.19
tetrachloromethane	317.99
n-pentyl acetate	309.77
transcutol	1340.14
n-heptanol	207.29
ethylbenzene	317.34
MIBK	474.56
2-propoxyethanol	570.25
tert-butanol	715.47
MTBE	626.71
2-butoxyethanol	328.42
propionic acid	750.14
o-xylene	276.03
formic acid	133.22
diethyl ether	859.37
m-xylene	298.58
p-xylene	372.75
chlorobenzene	856.05
dimethyl carbonate	379.11
n-octane	27.18
formamide	382.8
cyclopentanone	1872.56
2-pentanone	1165.89
anisole	575.07
cyclopentyl methyl ether	667.76
gamma-butyrolactone	1755.84
1-methoxy-2-propanol	615.63
pyridine	1670.35
3-pentanone	946.63
furfural	1278.32
n-dodecane	20.51
diethylene glycol	297.78
diisopropyl ether	181.68
tert-amyl alcohol	539.32
acetylacetone	792.58
n-hexadecane	24.11
acetophenone	517.99
methyl propionate	975.75
isopentyl acetate	549.69
trichloroethylene	3870.63
n-nonanol	171.29
cyclohexanol	603.62
benzyl alcohol	395.65
2-ethylhexanol	273.53
isooctanol	172.33
dipropyl ether	383.69
1,2-dichlorobenzene	677.47
ethyl lactate	240.41
propylene carbonate	997.35
n-methylformamide	1002.83
2-pentanol	499.53
n-pentane	82.87
1-propoxy-2-propanol	487.91
1-methoxy-2-propyl acetate	475.4
2-(2-methoxypropoxy) propanol	282.8
mesitylene	176.88
ε-caprolactone	1164.96
p-cymene	141.9
epichlorohydrin	2079.7
1,1,1-trichloroethane	1743.41
2-aminoethanol	286.7
morpholine-4-carbaldehyde	935.24
sulfolane	1368.98
2,2,4-trimethylpentane	34.54
2-methyltetrahydrofuran	1167.36
n-hexyl acetate	432.39
isooctane	30.92
2-(2-butoxyethoxy)ethanol	382.61
sec-butyl acetate	362.9
tert-butyl acetate	427.59
decalin	70.37
glycerin	208.33
diglyme	786.76
acrylic acid	601.78
isopropyl myristate	171.06
n-butyric acid	991.13
acetyl acetate	495.67
di(2-ethylhexyl) phthalate	133.14
ethyl propionate	565.67
nitromethane	1542.99
1,2-diethoxyethane	519.13
benzonitrile	718.57
trioctyl phosphate	100.35
1-bromopropane	1209.37
gamma-valerolactone	1602.34
n-decanol	131.02
triethyl phosphate	174.61
4-methyl-2-pentanol	227.17
propionitrile	1379.72
vinylene carbonate	915.03
1,1,2-trichlorotrifluoroethane	893.96
DMS	369.36
cumene	185.25
2-octanol	150.13
2-hexanone	708.02
octyl acetate	210.68
limonene	202.79
1,2-dimethoxyethane	901.53
ethyl orthosilicate	159.12
tributyl phosphate	134.0
diacetone alcohol	479.78
N,N-dimethylaniline	297.36
acrylonitrile	1553.83
aniline	626.96
1,3-propanediol	408.88
bromobenzene	865.74
dibromomethane	2072.92
1,1,2,2-tetrachloroethane	2753.54
2-methyl-cyclohexyl acetate	291.02
tetrabutyl urea	172.97
diisobutyl methanol	162.5
2-phenylethanol	352.24
styrene	421.52
dioctyl adipate	232.31
dimethyl sulfate	465.24
ethyl butyrate	488.29
methyl lactate	309.27
butyl lactate	240.04
diethyl carbonate	332.25
propanediol butyl ether	280.03
triethyl orthoformate	265.14
p-tert-butyltoluene	127.64
methyl 4-tert-butylbenzoate	302.06
morpholine	1519.43
tert-butylamine	448.07
n-dodecanol	100.55
dimethoxymethane	853.69
ethylene carbonate	756.02
cyrene	276.06
2-ethoxyethyl acetate	383.38
2-ethylhexyl acetate	404.46
1,2,4-trichlorobenzene	735.02
4-methylpyridine	1466.0
dibutyl ether	279.41
2,6-dimethyl-4-heptanol	162.5
DEF	1095.49
dimethyl isosorbide	497.72
tetrachloroethylene	1466.91
eugenol	290.01
triacetin	340.37
span 80	235.34
1,4-butanediol	157.57
1,1-dichloroethane	2395.43
2-methyl-1-pentanol	330.98
methyl formate	770.79
2-methyl-1-butanol	567.75
n-decane	34.87
butyronitrile	1254.22
3,7-dimethyl-1-octanol	194.94
1-chlorooctane	180.74
1-chlorotetradecane	65.46
n-nonane	36.43
undecane	26.19
tert-butylcyclohexane	60.7
cyclooctane	43.18
cyclopentanol	666.74
tetrahydropyran	1526.77
tert-amyl methyl ether	380.45
2,5,8-trioxanonane	483.4
1-hexene	415.51
2-isopropoxyethanol	291.73
2,2,2-trifluoroethanol	240.34
methyl butyrate	852.03

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