Molecular formula
C9H8Cl2O2

SMILES
C1=CC=C(C=C1)COC(=O)C(Cl)Cl

Fragrance
Fruity	57.31%
Sweet	56.9%
Balsamic	34.3%
Caramellic	33.03%
Buttery	30.47%
Floral	30.0%
Fatty	29.87%
Honey	29.27%
Creamy	26.24%
Milky	24.58%

 

Flavor
Fruity	45.55%
Odorless	37.27%
Mild	28.71%
Bitter	28.12%
Sweet	24.08%
Grape	22.25%
Orange flower	20.72%
Yeast	20.07%
Orange blossom	19.9%
Benzyl propionate	19.64%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
5.22 (weak acid)

Molecular weight
219.06 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
277°C

Flash point

• 122.98 ˚C est.

• Benzyl dichloroacetate #
• SCHEMBL8534374
• Dichloroacetic acid, benzyl ester
• VAJCQZBNDWEQRU-UHFFFAOYSA-N

Dichloroacetic acid, benzyl ester is primarily used as an organic-synthesis intermediate and building block for specialty chemicals, pharmaceuticals, and fine chemicals; as a benzyl ester protecting group for carboxylic acids, it enables selective transformations and convenient deprotection to reveal the dichloroacetyl functionality. It also serves as a precursor for dichloroacetyl derivatives and related halogenated acyl species used in polymer and materials chemistry, providing routes to functional monomers or crosslinking agents after further transformation. In research and development, it is used as a structural building block for complex molecules and for preparing protected-carboxyl intermediates in pharmaceutical and industrial chemistry. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	184.21
methanol	182.21
isopropanol	85.07
water	0.28
ethyl acetate	444.43
n-propanol	117.65
acetone	652.22
n-butanol	106.15
acetonitrile	306.92
DMF	906.61
toluene	228.38
isobutanol	74.02
1,4-dioxane	480.57
methyl acetate	449.78
THF	744.08
2-butanone	490.76
n-pentanol	100.96
sec-butanol	105.01
n-hexane	7.3
ethylene glycol	54.19
NMP	622.1
cyclohexane	15.89
DMSO	774.12
n-butyl acetate	235.22
n-octanol	38.14
chloroform	745.28
n-propyl acetate	246.5
acetic acid	304.32
dichloromethane	887.14
cyclohexanone	438.07
propylene glycol	52.1
isopropyl acetate	202.09
DMAc	863.72
2-ethoxyethanol	294.29
isopentanol	103.75
n-heptane	11.44
ethyl formate	225.78
1,2-dichloroethane	717.69
n-hexanol	91.93
2-methoxyethanol	438.07
isobutyl acetate	119.98
tetrachloromethane	57.58
n-pentyl acetate	104.12
transcutol	1407.66
n-heptanol	42.88
ethylbenzene	92.86
MIBK	167.66
2-propoxyethanol	225.75
tert-butanol	129.85
MTBE	181.27
2-butoxyethanol	131.68
propionic acid	140.55
o-xylene	126.79
formic acid	141.08
diethyl ether	230.12
m-xylene	123.29
p-xylene	111.61
chlorobenzene	232.5
dimethyl carbonate	194.31
n-octane	3.48
formamide	381.82
cyclopentanone	589.45
2-pentanone	361.53
anisole	272.46
cyclopentyl methyl ether	298.21
gamma-butyrolactone	625.46
1-methoxy-2-propanol	258.97
pyridine	613.89
3-pentanone	285.72
furfural	640.62
n-dodecane	2.91
diethylene glycol	218.91
diisopropyl ether	54.56
tert-amyl alcohol	137.51
acetylacetone	517.04
n-hexadecane	3.46
acetophenone	275.46
methyl propionate	338.35
isopentyl acetate	186.44
trichloroethylene	1494.81
n-nonanol	36.45
cyclohexanol	124.17
benzyl alcohol	190.54
2-ethylhexanol	70.35
isooctanol	39.13
dipropyl ether	107.55
1,2-dichlorobenzene	221.74
ethyl lactate	105.51
propylene carbonate	318.27
n-methylformamide	362.41
2-pentanol	81.47
n-pentane	7.9
1-propoxy-2-propanol	154.51
1-methoxy-2-propyl acetate	267.15
2-(2-methoxypropoxy) propanol	184.45
mesitylene	61.33
ε-caprolactone	354.21
p-cymene	58.04
epichlorohydrin	981.45
1,1,1-trichloroethane	389.88
2-aminoethanol	94.67
morpholine-4-carbaldehyde	625.24
sulfolane	619.99
2,2,4-trimethylpentane	8.4
2-methyltetrahydrofuran	430.62
n-hexyl acetate	119.27
isooctane	5.62
2-(2-butoxyethoxy)ethanol	253.45
sec-butyl acetate	149.23
tert-butyl acetate	211.07
decalin	12.24
glycerin	96.34
diglyme	659.19
acrylic acid	172.78
isopropyl myristate	49.56
n-butyric acid	196.15
acetyl acetate	275.52
di(2-ethylhexyl) phthalate	58.02
ethyl propionate	201.63
nitromethane	889.63
1,2-diethoxyethane	323.22
benzonitrile	219.12
trioctyl phosphate	33.91
1-bromopropane	216.51
gamma-valerolactone	681.16
n-decanol	28.01
triethyl phosphate	83.34
4-methyl-2-pentanol	53.04
propionitrile	168.09
vinylene carbonate	276.59
1,1,2-trichlorotrifluoroethane	573.15
DMS	188.4
cumene	54.83
2-octanol	29.29
2-hexanone	226.59
octyl acetate	61.94
limonene	86.04
1,2-dimethoxyethane	568.84
ethyl orthosilicate	77.96
tributyl phosphate	50.09
diacetone alcohol	247.1
N,N-dimethylaniline	173.45
acrylonitrile	291.17
aniline	226.43
1,3-propanediol	135.0
bromobenzene	245.77
dibromomethane	485.13
1,1,2,2-tetrachloroethane	998.95
2-methyl-cyclohexyl acetate	128.43
tetrabutyl urea	75.91
diisobutyl methanol	45.37
2-phenylethanol	151.26
styrene	141.48
dioctyl adipate	100.43
dimethyl sulfate	333.17
ethyl butyrate	184.1
methyl lactate	149.38
butyl lactate	91.56
diethyl carbonate	128.86
propanediol butyl ether	134.58
triethyl orthoformate	117.22
p-tert-butyltoluene	53.68
methyl 4-tert-butylbenzoate	153.27
morpholine	542.85
tert-butylamine	72.81
n-dodecanol	22.14
dimethoxymethane	513.76
ethylene carbonate	207.87
cyrene	200.8
2-ethoxyethyl acetate	221.71
2-ethylhexyl acetate	145.86
1,2,4-trichlorobenzene	277.02
4-methylpyridine	520.86
dibutyl ether	80.59
2,6-dimethyl-4-heptanol	45.37
DEF	443.86
dimethyl isosorbide	334.37
tetrachloroethylene	623.87
eugenol	148.46
triacetin	190.18
span 80	121.32
1,4-butanediol	64.45
1,1-dichloroethane	431.26
2-methyl-1-pentanol	103.3
methyl formate	341.8
2-methyl-1-butanol	103.18
n-decane	4.62
butyronitrile	155.23
3,7-dimethyl-1-octanol	51.83
1-chlorooctane	30.87
1-chlorotetradecane	12.57
n-nonane	4.31
undecane	3.55
tert-butylcyclohexane	10.49
cyclooctane	6.12
cyclopentanol	128.07
tetrahydropyran	351.43
tert-amyl methyl ether	168.95
2,5,8-trioxanonane	403.3
1-hexene	51.11
2-isopropoxyethanol	185.21
2,2,2-trifluoroethanol	126.79
methyl butyrate	279.21

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