Molecular formula
C12H16O2

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

Fragrance
Fruity	90.33%
Floral	89.12%
Sweet	72.54%
Green	66.75%
Fresh	57.33%
Herbal	42.42%
Jasmin	40.16%
Rose	38.44%
Balsamic	37.04%
Woody	33.4%

 

Flavor
Sweet	75.38%
Fruity	59.62%
Bitter	58.1%
Floral	57.37%
Herbal	53.78%
Green	51.25%
Citrus	42.7%
Rose	39.69%
Tropical	37.39%
Fresh	35.39%

 

Odor impact est.
Medium

XLogP3-AA
2.7

pKa est.
7.91 (neutral)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
238°C

Flash point

• 107.13 ˚C est.

• SCHEMBL5571854
• AKOS024324872
• 1-METHYL-1-PHENYLPROPYL ACETATE

1-Methyl-1-phenylpropyl acetate is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics, where it can serve as a scent and may act as a fixative within formulations; it may also function as a solvent or co-solvent in some personal care products, and it is used as an intermediate in the synthesis of other fragrance compounds; in household products such as cleaners, air fresheners, and laundry aids, it can contribute fragrance notes.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	989.94
methanol	1600.05
isopropanol	774.76
water	4.09
ethyl acetate	647.52
n-propanol	880.54
acetone	925.45
n-butanol	775.89
acetonitrile	909.15
DMF	1739.95
toluene	555.74
isobutanol	676.62
1,4-dioxane	1719.58
methyl acetate	718.36
THF	1601.83
2-butanone	765.01
n-pentanol	519.95
sec-butanol	705.18
n-hexane	191.81
ethylene glycol	281.4
NMP	1338.77
cyclohexane	265.23
DMSO	1206.7
n-butyl acetate	490.52
n-octanol	346.03
chloroform	2987.02
n-propyl acetate	354.48
acetic acid	540.95
dichloromethane	2629.23
cyclohexanone	1276.53
propylene glycol	307.16
isopropyl acetate	370.36
DMAc	1302.59
2-ethoxyethanol	571.24
isopentanol	583.62
n-heptane	78.56
ethyl formate	503.35
1,2-dichloroethane	1424.23
n-hexanol	662.85
2-methoxyethanol	980.6
isobutyl acetate	254.52
tetrachloromethane	366.9
n-pentyl acetate	335.71
transcutol	1068.86
n-heptanol	253.32
ethylbenzene	337.02
MIBK	395.1
2-propoxyethanol	770.18
tert-butanol	843.93
MTBE	772.93
2-butoxyethanol	345.08
propionic acid	560.73
o-xylene	339.81
formic acid	239.9
diethyl ether	937.93
m-xylene	360.09
p-xylene	389.9
chlorobenzene	701.54
dimethyl carbonate	326.06
n-octane	47.12
formamide	347.64
cyclopentanone	1188.14
2-pentanone	643.06
anisole	585.79
cyclopentyl methyl ether	842.86
gamma-butyrolactone	1258.08
1-methoxy-2-propanol	677.75
pyridine	890.61
3-pentanone	566.44
furfural	925.7
n-dodecane	42.25
diethylene glycol	572.01
diisopropyl ether	223.42
tert-amyl alcohol	702.83
acetylacetone	604.4
n-hexadecane	47.98
acetophenone	451.99
methyl propionate	581.86
isopentyl acetate	414.19
trichloroethylene	2143.6
n-nonanol	271.65
cyclohexanol	746.86
benzyl alcohol	423.56
2-ethylhexanol	323.87
isooctanol	199.01
dipropyl ether	354.29
1,2-dichlorobenzene	609.5
ethyl lactate	207.59
propylene carbonate	694.73
n-methylformamide	748.51
2-pentanol	466.5
n-pentane	145.15
1-propoxy-2-propanol	444.0
1-methoxy-2-propyl acetate	419.35
2-(2-methoxypropoxy) propanol	337.4
mesitylene	228.04
ε-caprolactone	961.69
p-cymene	159.87
epichlorohydrin	1408.62
1,1,1-trichloroethane	1120.17
2-aminoethanol	489.77
morpholine-4-carbaldehyde	1220.14
sulfolane	1285.35
2,2,4-trimethylpentane	69.71
2-methyltetrahydrofuran	1169.86
n-hexyl acetate	559.07
isooctane	46.44
2-(2-butoxyethoxy)ethanol	463.59
sec-butyl acetate	255.65
tert-butyl acetate	404.99
decalin	124.69
glycerin	385.15
diglyme	775.51
acrylic acid	454.34
isopropyl myristate	197.2
n-butyric acid	632.02
acetyl acetate	404.15
di(2-ethylhexyl) phthalate	187.73
ethyl propionate	369.1
nitromethane	856.47
1,2-diethoxyethane	492.93
benzonitrile	558.26
trioctyl phosphate	143.49
1-bromopropane	1016.06
gamma-valerolactone	1345.54
n-decanol	196.01
triethyl phosphate	174.64
4-methyl-2-pentanol	241.85
propionitrile	827.93
vinylene carbonate	692.16
1,1,2-trichlorotrifluoroethane	707.11
DMS	414.61
cumene	221.13
2-octanol	216.32
2-hexanone	456.68
octyl acetate	264.85
limonene	247.17
1,2-dimethoxyethane	1011.41
ethyl orthosilicate	169.42
tributyl phosphate	174.94
diacetone alcohol	420.75
N,N-dimethylaniline	397.51
acrylonitrile	822.53
aniline	550.26
1,3-propanediol	543.41
bromobenzene	795.88
dibromomethane	1744.64
1,1,2,2-tetrachloroethane	1811.18
2-methyl-cyclohexyl acetate	294.17
tetrabutyl urea	236.05
diisobutyl methanol	153.85
2-phenylethanol	419.0
styrene	394.06
dioctyl adipate	251.38
dimethyl sulfate	505.0
ethyl butyrate	323.36
methyl lactate	287.97
butyl lactate	241.25
diethyl carbonate	235.42
propanediol butyl ether	353.37
triethyl orthoformate	216.43
p-tert-butyltoluene	161.26
methyl 4-tert-butylbenzoate	367.28
morpholine	1586.46
tert-butylamine	596.53
n-dodecanol	149.55
dimethoxymethane	933.05
ethylene carbonate	623.84
cyrene	355.2
2-ethoxyethyl acetate	399.11
2-ethylhexyl acetate	339.66
1,2,4-trichlorobenzene	663.21
4-methylpyridine	1015.12
dibutyl ether	367.05
2,6-dimethyl-4-heptanol	153.85
DEF	798.46
dimethyl isosorbide	537.14
tetrachloroethylene	1112.79
eugenol	347.4
triacetin	373.49
span 80	309.58
1,4-butanediol	275.51
1,1-dichloroethane	1421.93
2-methyl-1-pentanol	446.87
methyl formate	602.38
2-methyl-1-butanol	621.92
n-decane	70.33
butyronitrile	817.35
3,7-dimethyl-1-octanol	264.4
1-chlorooctane	281.36
1-chlorotetradecane	105.34
n-nonane	75.33
undecane	52.87
tert-butylcyclohexane	104.52
cyclooctane	78.64
cyclopentanol	722.4
tetrahydropyran	1501.21
tert-amyl methyl ether	559.92
2,5,8-trioxanonane	548.71
1-hexene	527.14
2-isopropoxyethanol	388.13
2,2,2-trifluoroethanol	220.84
methyl butyrate	485.97

Scent© AI