Molecular formula
C16H16O2

SMILES
CC(=O)OC(CC1=CC=CC=C1)C2=CC=CC=C2

Fragrance
Floral	87.81%
Rose	68.62%
Balsamic	66.43%
Sweet	61.35%
Green	60.1%
Honey	58.97%
Hyacinth	53.35%
Spicy	39.1%
Fruity	38.31%
Herbal	34.0%

 

Flavor
Sweet	90.71%
Floral	79.32%
Rose	59.23%
Honey	54.9%
Balsam	52.19%
Fruity	49.36%
Bitter	44.91%
Green	42.84%
Hyacinth	39.29%
Chocolate	34.3%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.78 (neutral)

Molecular weight
240.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
326°C

Flash point

• 162.82 ˚C est.

• CYCSDIVVYJWIKD-UHFFFAOYSA-N
• NS00050632

1,2-Diphenylethyl acetate is a fragrance ingredient primarily used in perfumery as a fragrance component and, in some formulations, as a fixative to help extend aroma. It is also employed in cosmetics and personal care products to contribute scent in creams, lotions, and hair care items. In household products such as cleaners and air fresheners, it can provide a pleasant fragrance profile. In industrial manufacturing, the compound can serve as an intermediate in organic synthesis to access other aroma-related compounds. It may be evaluated for aroma applications in a range of formulations under applicable regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	120.08
methanol	188.22
isopropanol	53.31
water	0.44
ethyl acetate	206.11
n-propanol	95.51
acetone	227.0
n-butanol	66.96
acetonitrile	186.34
DMF	522.12
toluene	76.29
isobutanol	52.75
1,4-dioxane	506.87
methyl acetate	207.54
THF	433.2
2-butanone	196.43
n-pentanol	65.05
sec-butanol	52.69
n-hexane	6.19
ethylene glycol	43.51
NMP	338.36
cyclohexane	11.13
DMSO	627.94
n-butyl acetate	121.01
n-octanol	24.09
chloroform	1001.82
n-propyl acetate	125.52
acetic acid	169.18
dichloromethane	864.42
cyclohexanone	273.79
propylene glycol	64.3
isopropyl acetate	102.73
DMAc	660.07
2-ethoxyethanol	153.18
isopentanol	58.9
n-heptane	4.58
ethyl formate	117.29
1,2-dichloroethane	591.97
n-hexanol	61.72
2-methoxyethanol	210.23
isobutyl acetate	87.39
tetrachloromethane	34.41
n-pentyl acetate	55.0
transcutol	705.74
n-heptanol	28.02
ethylbenzene	57.75
MIBK	85.56
2-propoxyethanol	146.43
tert-butanol	71.26
MTBE	76.83
2-butoxyethanol	79.32
propionic acid	135.23
o-xylene	52.12
formic acid	69.44
diethyl ether	148.25
m-xylene	44.71
p-xylene	68.87
chlorobenzene	182.74
dimethyl carbonate	127.19
n-octane	2.32
formamide	148.52
cyclopentanone	350.46
2-pentanone	126.79
anisole	175.2
cyclopentyl methyl ether	133.19
gamma-butyrolactone	418.95
1-methoxy-2-propanol	142.28
pyridine	369.6
3-pentanone	135.56
furfural	354.55
n-dodecane	2.88
diethylene glycol	131.84
diisopropyl ether	28.74
tert-amyl alcohol	56.82
acetylacetone	224.15
n-hexadecane	3.38
acetophenone	156.96
methyl propionate	175.64
isopentyl acetate	110.11
trichloroethylene	954.48
n-nonanol	26.25
cyclohexanol	64.9
benzyl alcohol	112.92
2-ethylhexanol	45.71
isooctanol	26.17
dipropyl ether	75.42
1,2-dichlorobenzene	178.95
ethyl lactate	67.89
propylene carbonate	226.76
n-methylformamide	179.75
2-pentanol	33.48
n-pentane	2.63
1-propoxy-2-propanol	95.74
1-methoxy-2-propyl acetate	140.33
2-(2-methoxypropoxy) propanol	113.98
mesitylene	30.2
ε-caprolactone	213.02
p-cymene	32.22
epichlorohydrin	546.12
1,1,1-trichloroethane	245.59
2-aminoethanol	85.81
morpholine-4-carbaldehyde	353.25
sulfolane	441.16
2,2,4-trimethylpentane	4.4
2-methyltetrahydrofuran	206.65
n-hexyl acetate	81.09
isooctane	2.76
2-(2-butoxyethoxy)ethanol	149.26
sec-butyl acetate	85.61
tert-butyl acetate	103.79
decalin	12.01
glycerin	96.68
diglyme	322.99
acrylic acid	138.99
isopropyl myristate	37.94
n-butyric acid	141.35
acetyl acetate	149.63
di(2-ethylhexyl) phthalate	48.87
ethyl propionate	118.86
nitromethane	398.33
1,2-diethoxyethane	173.33
benzonitrile	136.78
trioctyl phosphate	27.47
1-bromopropane	180.44
gamma-valerolactone	393.28
n-decanol	21.08
triethyl phosphate	67.46
4-methyl-2-pentanol	29.67
propionitrile	135.98
vinylene carbonate	228.27
1,1,2-trichlorotrifluoroethane	318.56
DMS	140.11
cumene	39.68
2-octanol	15.92
2-hexanone	117.14
octyl acetate	45.56
limonene	42.98
1,2-dimethoxyethane	297.46
ethyl orthosilicate	60.9
tributyl phosphate	41.69
diacetone alcohol	113.67
N,N-dimethylaniline	103.65
acrylonitrile	194.38
aniline	117.6
1,3-propanediol	92.12
bromobenzene	190.4
dibromomethane	466.05
1,1,2,2-tetrachloroethane	786.39
2-methyl-cyclohexyl acetate	89.0
tetrabutyl urea	54.55
diisobutyl methanol	29.43
2-phenylethanol	87.49
styrene	85.21
dioctyl adipate	72.84
dimethyl sulfate	205.22
ethyl butyrate	103.87
methyl lactate	94.33
butyl lactate	62.36
diethyl carbonate	91.77
propanediol butyl ether	75.27
triethyl orthoformate	82.07
p-tert-butyltoluene	30.06
methyl 4-tert-butylbenzoate	103.92
morpholine	422.62
tert-butylamine	39.22
n-dodecanol	17.44
dimethoxymethane	266.36
ethylene carbonate	190.6
cyrene	119.31
2-ethoxyethyl acetate	110.49
2-ethylhexyl acetate	90.35
1,2,4-trichlorobenzene	211.26
4-methylpyridine	239.13
dibutyl ether	59.29
2,6-dimethyl-4-heptanol	29.43
DEF	200.99
dimethyl isosorbide	203.98
tetrachloroethylene	398.53
eugenol	102.62
triacetin	127.97
span 80	85.36
1,4-butanediol	42.72
1,1-dichloroethane	333.35
2-methyl-1-pentanol	68.06
methyl formate	145.69
2-methyl-1-butanol	56.54
n-decane	4.39
butyronitrile	108.34
3,7-dimethyl-1-octanol	35.06
1-chlorooctane	24.51
1-chlorotetradecane	11.89
n-nonane	3.7
undecane	3.43
tert-butylcyclohexane	10.05
cyclooctane	3.2
cyclopentanol	71.37
tetrahydropyran	281.0
tert-amyl methyl ether	65.61
2,5,8-trioxanonane	230.35
1-hexene	42.53
2-isopropoxyethanol	98.8
2,2,2-trifluoroethanol	74.17
methyl butyrate	153.05

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