CAS number
18127-01-0

Molecular formula
C13H18O

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

Safety labels

Fragrance
Floral	90.22%
Fresh	60.19%
Green	59.25%
Aldehydic	55.77%
Lily	55.3%
Muguet	52.62%
Sweet	51.9%
Ozone	42.75%
Woody	38.63%
Powdery	36.43%

 

Flavor
Green	73.44%
Floral	56.33%
Fresh	49.57%
Herbal	42.12%
Bitter	38.15%
Spicy	38.1%
Leaf	35.2%
Citrus	35.05%
Fruity	31.87%
Woody	30.46%

 

Odor impact est.
High

XLogP3-AA
3.3

pKa est.
7.15 (neutral)

Molecular weight
190.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
270°C

Flash point

• 123.28 ˚C est.

• 3-(4-tert-butylphenyl)propanal
• Bourgeonal
• 18127-01-0
• 3-(4-(tert-Butyl)phenyl)propanal
• Benzenepropanal, 4-(1,1-dimethylethyl)-
• 4-(1,1-Dimethylethyl)benzenepropanal
• p-tert-Butyldihydrocinnamaldehyde
• DTXSID6044808
• p-tert-Butylhydrocinnamic aldehyde
• UNII-H3XVS6E70V
• EINECS 242-016-2
• H3XVS6E70V
• BRN 2439407
• Bourgeonal (>90%)
• DTXCID4024808
• EC 242-016-2
• p-tert-Butyl phenylpropyl-aldehyde 1
• 3-(4-tert-butyl-phenyl)-propionaldehyde
• 3-(4-tert-Butylphenyl)propionaldehyde
• MFCD00169819
• 4-(1,1-dimethylethyl)-benzenepropana
• SCHEMBL66122
• CHEMBL3183621
• 3-(4-tert-butylphenyl) propanal
• 3-(4-tert-Butylphenyl)propanal #
• ALBB-005196
• Tox21_301249
• BBL013552
• STK500257
• AKOS005171397
• 3-(4-tert-Butyl-phenyl)propionaldehyde
• NCGC00256222-01
• HY-31962
• LS-01959
• CAS-18127-01-0
• 3-(4-tert-Butylphenyl)propanal, AldrichCPR
• NS00002801
• EN300-313411
• G68276
• Q895217
• Z57952816
• 242-016-2

Bourgeonal is primarily used as an odorant in perfumery, imparting a hyacinth-like floral note; it is also employed as a fragrance ingredient in cosmetics and personal care products, and may be added to household cleaning formulations to contribute fragrance; it is also viewed as an intermediate in the synthesis of other fragrance materials and may be evaluated for flavor applications under appropriate regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	622.44
methanol	536.59
isopropanol	353.47
water	0.31
ethyl acetate	838.47
n-propanol	437.23
acetone	475.41
n-butanol	436.13
acetonitrile	465.28
DMF	512.98
toluene	304.87
isobutanol	235.61
1,4-dioxane	1040.56
methyl acetate	575.44
THF	933.51
2-butanone	505.73
n-pentanol	255.14
sec-butanol	232.63
n-hexane	103.37
ethylene glycol	61.62
NMP	284.51
cyclohexane	98.38
DMSO	226.08
n-butyl acetate	544.89
n-octanol	93.68
chloroform	1132.26
n-propyl acetate	376.51
acetic acid	234.47
dichloromethane	941.29
cyclohexanone	560.51
propylene glycol	125.65
isopropyl acetate	458.43
DMAc	466.24
2-ethoxyethanol	385.22
isopentanol	305.04
n-heptane	60.22
ethyl formate	319.34
1,2-dichloroethane	683.4
n-hexanol	449.81
2-methoxyethanol	595.15
isobutyl acetate	265.11
tetrachloromethane	140.4
n-pentyl acetate	160.86
transcutol	1338.57
n-heptanol	117.54
ethylbenzene	178.7
MIBK	280.67
2-propoxyethanol	681.51
tert-butanol	407.33
MTBE	541.9
2-butoxyethanol	233.51
propionic acid	232.92
o-xylene	162.33
formic acid	71.37
diethyl ether	844.87
m-xylene	199.21
p-xylene	200.19
chlorobenzene	340.31
dimethyl carbonate	164.31
n-octane	19.25
formamide	133.44
cyclopentanone	503.51
2-pentanone	501.53
anisole	352.66
cyclopentyl methyl ether	438.45
gamma-butyrolactone	518.49
1-methoxy-2-propanol	473.24
pyridine	538.18
3-pentanone	362.81
furfural	464.46
n-dodecane	12.28
diethylene glycol	344.56
diisopropyl ether	214.94
tert-amyl alcohol	245.81
acetylacetone	433.93
n-hexadecane	14.09
acetophenone	258.15
methyl propionate	493.47
isopentyl acetate	434.78
trichloroethylene	1025.34
n-nonanol	89.33
cyclohexanol	243.02
benzyl alcohol	221.92
2-ethylhexanol	232.16
isooctanol	96.83
dipropyl ether	434.64
1,2-dichlorobenzene	293.79
ethyl lactate	141.29
propylene carbonate	345.71
n-methylformamide	245.33
2-pentanol	250.85
n-pentane	71.02
1-propoxy-2-propanol	474.47
1-methoxy-2-propyl acetate	542.06
2-(2-methoxypropoxy) propanol	247.73
mesitylene	125.54
ε-caprolactone	503.37
p-cymene	107.99
epichlorohydrin	776.81
1,1,1-trichloroethane	553.96
2-aminoethanol	187.51
morpholine-4-carbaldehyde	579.06
sulfolane	381.82
2,2,4-trimethylpentane	30.52
2-methyltetrahydrofuran	638.68
n-hexyl acetate	228.21
isooctane	30.79
2-(2-butoxyethoxy)ethanol	347.73
sec-butyl acetate	284.89
tert-butyl acetate	433.14
decalin	52.65
glycerin	128.33
diglyme	662.01
acrylic acid	157.08
isopropyl myristate	106.51
n-butyric acid	432.99
acetyl acetate	343.99
di(2-ethylhexyl) phthalate	94.81
ethyl propionate	345.66
nitromethane	386.33
1,2-diethoxyethane	589.43
benzonitrile	268.86
trioctyl phosphate	64.71
1-bromopropane	487.84
gamma-valerolactone	735.79
n-decanol	69.5
triethyl phosphate	139.23
4-methyl-2-pentanol	159.47
propionitrile	429.43
vinylene carbonate	327.58
1,1,2-trichlorotrifluoroethane	368.47
DMS	237.88
cumene	120.69
2-octanol	64.01
2-hexanone	329.1
octyl acetate	117.62
limonene	157.81
1,2-dimethoxyethane	693.15
ethyl orthosilicate	149.71
tributyl phosphate	94.03
diacetone alcohol	339.3
N,N-dimethylaniline	214.86
acrylonitrile	388.46
aniline	290.39
1,3-propanediol	253.12
bromobenzene	368.98
dibromomethane	642.26
1,1,2,2-tetrachloroethane	816.27
2-methyl-cyclohexyl acetate	245.18
tetrabutyl urea	105.18
diisobutyl methanol	133.98
2-phenylethanol	276.02
styrene	219.81
dioctyl adipate	153.19
dimethyl sulfate	158.74
ethyl butyrate	388.54
methyl lactate	153.68
butyl lactate	134.96
diethyl carbonate	243.09
propanediol butyl ether	169.38
triethyl orthoformate	242.42
p-tert-butyltoluene	112.92
methyl 4-tert-butylbenzoate	193.14
morpholine	1115.55
tert-butylamine	305.36
n-dodecanol	55.78
dimethoxymethane	499.19
ethylene carbonate	295.13
cyrene	192.46
2-ethoxyethyl acetate	293.06
2-ethylhexyl acetate	348.18
1,2,4-trichlorobenzene	322.55
4-methylpyridine	541.37
dibutyl ether	213.9
2,6-dimethyl-4-heptanol	133.98
DEF	457.36
dimethyl isosorbide	429.52
tetrachloroethylene	484.18
eugenol	184.26
triacetin	227.55
span 80	190.49
1,4-butanediol	98.75
1,1-dichloroethane	680.44
2-methyl-1-pentanol	208.18
methyl formate	178.83
2-methyl-1-butanol	239.85
n-decane	22.23
butyronitrile	486.49
3,7-dimethyl-1-octanol	123.9
1-chlorooctane	90.72
1-chlorotetradecane	37.26
n-nonane	22.52
undecane	15.87
tert-butylcyclohexane	54.87
cyclooctane	35.49
cyclopentanol	186.77
tetrahydropyran	962.01
tert-amyl methyl ether	325.48
2,5,8-trioxanonane	416.71
1-hexene	333.7
2-isopropoxyethanol	281.49
2,2,2-trifluoroethanol	71.44
methyl butyrate	408.05

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