Molecular formula
C14H18O2

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

Fragrance
Fruity	74.46%
Herbal	71.08%
Spicy	60.15%
Sweet	54.56%
Floral	52.73%
Balsamic	48.81%
Green	40.95%
Warm	38.47%
Woody	37.97%
Rose	35.71%

 

Flavor
Sweet	69.07%
Floral	57.07%
Fruity	42.46%
Rose	41.13%
Bitter	36.75%
Green	34.97%
Honey	34.46%
Tropical	32.31%
Woody	31.41%
Herbal	29.77%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
7.87 (neutral)

Molecular weight
218.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
276°C

Flash point

• 129.64 ˚C est.

• DTXSID30869122
• NS00062393

The practical applications of the compound (2-Methyl-1-phenylpropan-2-yl) but-2-enoate include use as a fragrance ingredient and aroma fixative in perfumery and cosmetics; it can be employed as a fragrance component or fixative in household and personal care products; it serves as a reactive crotonate/acrylate monomer for coatings, inks, and adhesives; it functions as an intermediate in organic synthesis to prepare other acrylate derivatives; it may be considered for fragrance applications in household and personal care formulations; it is studied as a plasticizer or polymer modifier in specialty resins.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	480.13
methanol	620.55
isopropanol	364.33
water	0.44
ethyl acetate	412.05
n-propanol	427.05
acetone	565.72
n-butanol	443.46
acetonitrile	362.22
DMF	779.61
toluene	320.32
isobutanol	358.33
1,4-dioxane	751.26
methyl acetate	373.64
THF	1185.34
2-butanone	459.42
n-pentanol	361.71
sec-butanol	395.82
n-hexane	193.51
ethylene glycol	78.15
NMP	729.4
cyclohexane	247.52
DMSO	578.36
n-butyl acetate	391.97
n-octanol	271.53
chloroform	1750.67
n-propyl acetate	271.14
acetic acid	356.78
dichloromethane	1295.79
cyclohexanone	846.21
propylene glycol	182.72
isopropyl acetate	266.8
DMAc	672.03
2-ethoxyethanol	254.86
isopentanol	355.91
n-heptane	100.03
ethyl formate	272.93
1,2-dichloroethane	693.71
n-hexanol	553.93
2-methoxyethanol	421.4
isobutyl acetate	209.14
tetrachloromethane	149.51
n-pentyl acetate	231.63
transcutol	906.71
n-heptanol	205.1
ethylbenzene	221.21
MIBK	299.59
2-propoxyethanol	578.55
tert-butanol	457.41
MTBE	413.62
2-butoxyethanol	244.73
propionic acid	318.44
o-xylene	209.86
formic acid	95.68
diethyl ether	501.69
m-xylene	239.14
p-xylene	260.08
chlorobenzene	419.81
dimethyl carbonate	194.76
n-octane	39.78
formamide	110.98
cyclopentanone	768.77
2-pentanone	433.21
anisole	376.75
cyclopentyl methyl ether	616.67
gamma-butyrolactone	746.18
1-methoxy-2-propanol	418.48
pyridine	540.83
3-pentanone	332.22
furfural	557.49
n-dodecane	38.33
diethylene glycol	320.36
diisopropyl ether	165.42
tert-amyl alcohol	405.95
acetylacetone	420.76
n-hexadecane	43.51
acetophenone	303.05
methyl propionate	358.18
isopentyl acetate	345.69
trichloroethylene	1200.23
n-nonanol	220.83
cyclohexanol	517.67
benzyl alcohol	283.74
2-ethylhexanol	284.23
isooctanol	161.44
dipropyl ether	318.9
1,2-dichlorobenzene	393.0
ethyl lactate	174.94
propylene carbonate	515.85
n-methylformamide	255.17
2-pentanol	325.39
n-pentane	132.3
1-propoxy-2-propanol	396.16
1-methoxy-2-propyl acetate	357.38
2-(2-methoxypropoxy) propanol	323.19
mesitylene	158.37
ε-caprolactone	608.2
p-cymene	139.93
epichlorohydrin	785.9
1,1,1-trichloroethane	620.62
2-aminoethanol	192.33
morpholine-4-carbaldehyde	623.59
sulfolane	837.0
2,2,4-trimethylpentane	55.63
2-methyltetrahydrofuran	789.32
n-hexyl acetate	435.91
isooctane	43.91
2-(2-butoxyethoxy)ethanol	418.27
sec-butyl acetate	202.77
tert-butyl acetate	310.61
decalin	99.67
glycerin	186.35
diglyme	561.28
acrylic acid	249.13
isopropyl myristate	176.66
n-butyric acid	464.41
acetyl acetate	292.36
di(2-ethylhexyl) phthalate	180.04
ethyl propionate	266.34
nitromethane	468.68
1,2-diethoxyethane	350.18
benzonitrile	356.36
trioctyl phosphate	127.04
1-bromopropane	555.27
gamma-valerolactone	769.14
n-decanol	170.35
triethyl phosphate	155.31
4-methyl-2-pentanol	191.12
propionitrile	336.14
vinylene carbonate	457.69
1,1,2-trichlorotrifluoroethane	472.68
DMS	310.6
cumene	161.18
2-octanol	155.31
2-hexanone	345.56
octyl acetate	228.34
limonene	216.74
1,2-dimethoxyethane	543.0
ethyl orthosilicate	145.19
tributyl phosphate	166.88
diacetone alcohol	335.78
N,N-dimethylaniline	266.5
acrylonitrile	327.51
aniline	312.21
1,3-propanediol	238.3
bromobenzene	452.21
dibromomethane	946.66
1,1,2,2-tetrachloroethane	1044.83
2-methyl-cyclohexyl acetate	276.11
tetrabutyl urea	223.09
diisobutyl methanol	142.02
2-phenylethanol	326.85
styrene	259.93
dioctyl adipate	251.35
dimethyl sulfate	274.83
ethyl butyrate	281.59
methyl lactate	205.73
butyl lactate	212.59
diethyl carbonate	213.04
propanediol butyl ether	311.7
triethyl orthoformate	202.49
p-tert-butyltoluene	135.52
methyl 4-tert-butylbenzoate	295.03
morpholine	774.82
tert-butylamine	331.31
n-dodecanol	133.68
dimethoxymethane	503.83
ethylene carbonate	401.21
cyrene	300.61
2-ethoxyethyl acetate	282.79
2-ethylhexyl acetate	278.58
1,2,4-trichlorobenzene	422.28
4-methylpyridine	539.2
dibutyl ether	296.46
2,6-dimethyl-4-heptanol	142.02
DEF	421.64
dimethyl isosorbide	507.78
tetrachloroethylene	556.25
eugenol	270.53
triacetin	352.43
span 80	325.65
1,4-butanediol	131.75
1,1-dichloroethane	700.7
2-methyl-1-pentanol	322.19
methyl formate	244.91
2-methyl-1-butanol	371.42
n-decane	61.54
butyronitrile	418.6
3,7-dimethyl-1-octanol	235.85
1-chlorooctane	216.43
1-chlorotetradecane	93.25
n-nonane	66.39
undecane	47.1
tert-butylcyclohexane	89.49
cyclooctane	75.68
cyclopentanol	461.04
tetrahydropyran	925.3
tert-amyl methyl ether	324.9
2,5,8-trioxanonane	461.83
1-hexene	426.69
2-isopropoxyethanol	240.02
2,2,2-trifluoroethanol	111.26
methyl butyrate	348.98

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