Molecular formula
C8H7O2-

SMILES
C1=CC=C(C=C1)CC(=O)[O-]

Fragrance
Floral	80.93%
Sweet	80.45%
Honey	79.84%
Rose	59.73%
Balsamic	51.94%
Powdery	50.74%
Waxy	35.51%
Chocolate	35.36%
Cocoa	31.03%
Animal	30.8%

 

Flavor
Sweet	74.54%
Honey	55.41%
Floral	53.94%
Waxy	39.73%
Balsam	38.26%
Rose	34.73%
Sour	32.53%
Mild	31.08%
Flower	30.46%
Balsamic	28.79%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
4.01 (weak acid)

Molecular weight
135.14 g/mol

Flash point

• 86.98 ˚C est.

• phenylacetate
• 2-phenylacetate
• 2-phenylethanoate
• Benzeneacetate
• BDBM36183
• WLJVXDMOQOGPHL-UHFFFAOYSA-M
• c0211
• AKOS024258138
• NS00010314
• AB01275449-01
• A804964
• Q27103051

Benzeneacetate is primarily used as an odorant in perfumery and as a precursor for the synthesis of fragrance compounds; it is also used as a fragrance component in cosmetics and personal care products, and is present in some household cleaning products for aroma purposes; in industry, it serves as an intermediate for the synthesis of fragrance chemicals and pharmaceutical intermediates; it may be used as a solvent or processing aid in certain formulations; and it can appear in coatings or inks as an aroma additive.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	449.46
methanol	690.52
isopropanol	239.21
water	4.86
ethyl acetate	562.42
n-propanol	281.75
acetone	970.28
n-butanol	245.72
acetonitrile	543.32
DMF	1660.45
toluene	69.44
isobutanol	161.39
1,4-dioxane	733.78
methyl acetate	588.26
THF	1053.91
2-butanone	572.81
n-pentanol	137.64
sec-butanol	183.56
n-hexane	6.62
ethylene glycol	260.59
NMP	848.86
cyclohexane	9.22
DMSO	1469.34
n-butyl acetate	159.2
n-octanol	82.39
chloroform	207.07
n-propyl acetate	170.02
acetic acid	376.51
dichloromethane	338.4
cyclohexanone	392.11
propylene glycol	219.59
isopropyl acetate	226.94
DMAc	783.3
2-ethoxyethanol	331.77
isopentanol	176.73
n-heptane	10.52
ethyl formate	288.81
1,2-dichloroethane	366.44
n-hexanol	146.2
2-methoxyethanol	848.13
isobutyl acetate	87.78
tetrachloromethane	22.79
n-pentyl acetate	94.88
transcutol	1290.72
n-heptanol	67.4
ethylbenzene	46.55
MIBK	201.02
2-propoxyethanol	354.7
tert-butanol	273.79
MTBE	173.51
2-butoxyethanol	176.31
propionic acid	299.55
o-xylene	54.38
formic acid	250.41
diethyl ether	310.18
m-xylene	56.32
p-xylene	47.61
chlorobenzene	115.14
dimethyl carbonate	335.29
n-octane	4.73
formamide	574.6
cyclopentanone	714.91
2-pentanone	451.87
anisole	207.09
cyclopentyl methyl ether	295.37
gamma-butyrolactone	821.65
1-methoxy-2-propanol	570.82
pyridine	353.17
3-pentanone	310.0
furfural	552.64
n-dodecane	6.66
diethylene glycol	423.17
diisopropyl ether	66.15
tert-amyl alcohol	189.7
acetylacetone	569.76
n-hexadecane	7.36
acetophenone	164.43
methyl propionate	531.85
isopentyl acetate	130.11
trichloroethylene	480.43
n-nonanol	74.42
cyclohexanol	139.49
benzyl alcohol	134.31
2-ethylhexanol	74.88
isooctanol	52.89
dipropyl ether	105.99
1,2-dichlorobenzene	125.39
ethyl lactate	120.89
propylene carbonate	355.96
n-methylformamide	761.08
2-pentanol	146.5
n-pentane	8.59
1-propoxy-2-propanol	218.37
1-methoxy-2-propyl acetate	238.47
2-(2-methoxypropoxy) propanol	225.22
mesitylene	35.84
ε-caprolactone	339.66
p-cymene	34.6
epichlorohydrin	927.34
1,1,1-trichloroethane	169.0
2-aminoethanol	303.76
morpholine-4-carbaldehyde	789.63
sulfolane	857.03
2,2,4-trimethylpentane	6.89
2-methyltetrahydrofuran	499.14
n-hexyl acetate	161.57
isooctane	6.94
2-(2-butoxyethoxy)ethanol	328.62
sec-butyl acetate	110.62
tert-butyl acetate	230.57
decalin	10.91
glycerin	312.26
diglyme	598.03
acrylic acid	298.45
isopropyl myristate	71.77
n-butyric acid	300.45
acetyl acetate	301.83
di(2-ethylhexyl) phthalate	70.03
ethyl propionate	213.87
nitromethane	1125.3
1,2-diethoxyethane	246.53
benzonitrile	153.22
trioctyl phosphate	57.26
1-bromopropane	118.22
gamma-valerolactone	782.01
n-decanol	60.55
triethyl phosphate	74.84
4-methyl-2-pentanol	81.91
propionitrile	311.07
vinylene carbonate	296.83
1,1,2-trichlorotrifluoroethane	397.25
DMS	251.3
cumene	33.76
2-octanol	45.89
2-hexanone	179.25
octyl acetate	95.83
limonene	49.73
1,2-dimethoxyethane	525.36
ethyl orthosilicate	64.75
tributyl phosphate	71.07
diacetone alcohol	350.92
N,N-dimethylaniline	115.53
acrylonitrile	423.78
aniline	137.85
1,3-propanediol	358.51
bromobenzene	93.96
dibromomethane	163.84
1,1,2,2-tetrachloroethane	329.36
2-methyl-cyclohexyl acetate	91.37
tetrabutyl urea	99.34
diisobutyl methanol	52.61
2-phenylethanol	133.39
styrene	61.65
dioctyl adipate	111.18
dimethyl sulfate	475.46
ethyl butyrate	124.71
methyl lactate	295.25
butyl lactate	98.95
diethyl carbonate	101.41
propanediol butyl ether	204.15
triethyl orthoformate	86.77
p-tert-butyltoluene	34.69
methyl 4-tert-butylbenzoate	157.07
morpholine	781.24
tert-butylamine	125.39
n-dodecanol	48.22
dimethoxymethane	905.91
ethylene carbonate	258.89
cyrene	198.67
2-ethoxyethyl acetate	208.01
2-ethylhexyl acetate	94.45
1,2,4-trichlorobenzene	149.28
4-methylpyridine	272.58
dibutyl ether	85.49
2,6-dimethyl-4-heptanol	52.61
DEF	462.44
dimethyl isosorbide	363.22
tetrachloroethylene	182.29
eugenol	167.84
triacetin	216.48
span 80	158.6
1,4-butanediol	128.33
1,1-dichloroethane	222.34
2-methyl-1-pentanol	111.44
methyl formate	628.38
2-methyl-1-butanol	156.62
n-decane	9.03
butyronitrile	237.41
3,7-dimethyl-1-octanol	80.74
1-chlorooctane	44.14
1-chlorotetradecane	22.64
n-nonane	7.69
undecane	7.72
tert-butylcyclohexane	10.68
cyclooctane	4.35
cyclopentanol	210.49
tetrahydropyran	414.72
tert-amyl methyl ether	142.74
2,5,8-trioxanonane	430.47
1-hexene	37.52
2-isopropoxyethanol	191.84
2,2,2-trifluoroethanol	174.51
methyl butyrate	238.86

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