Benzoic acid, propylester supplier

Name
PROPYL BENZOATE
EINECS 219-020-8
CAS No. 2315-68-6
Article Data165
CAS DataBase
Density 1.024 g/cm³
Solubility 251.4mg/L(20 oC)
Melting Point -51 °C
Formula C₁₀H₁₂O₂
Boiling Point 231.389 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 97.237 °C
Transport Information
Appearance Clear colorless liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 229333;n-Propyl benzoate;Propyl benzoate;
PSA 26.30000
LogP 2.25340

Synthetic route

: 245758-34-3
benzoic acid (3-iodopropyl) ester

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; air; phenylsilane; In(OAc)3 In ethanol at 20℃; for 1.5h;	100%

: 6065-69-6
3-bromopropyl benzoate

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran at 20℃; for 2h; Reduction;	99%
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran; hexane at 20℃; for 2h;	99%
With air; triethyl borane; di-n-butylchlorogermane In tetrahydrofuran; hexane at 0 - 20℃; for 1h;	99%

: 71-23-8
propan-1-ol

: 65-85-0
benzoic acid

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With alumina methanesulfonic acid at 80℃; for 0.133333h; Microwave irradiation;	98%
With 1,3-benzothiazol-3-ium methanesulfonate at 110℃; for 8h;	96.1%
With pyridine for 0.5h; Ambient temperature;	94%

: 71-23-8
propan-1-ol

: 591-50-4
iodobenzene

: 201230-82-2
carbon monoxide

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With triethylamine at 80℃; for 16h; Schlenk technique; Inert atmosphere;	95%
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 80℃; for 4h;	95%
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 80℃; under 760.051 Torr; for 6h;	93%

...Expand

: 71-23-8
propan-1-ol

: 2902-69-4
2,2,2-trichloroacetophenone

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With N,N,N',N'',N'''-pentamethyldiethylenetriamine In neat (no solvent) at 20 - 25℃; for 12h;	94%
With triethylamine In water; acetonitrile at 20℃;	76%
With magnesium hydroxide

: 71-23-8
propan-1-ol

: 100-52-7
benzaldehyde

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With Oxone at 20℃; for 18h;	94%
With perchloric acid; sodium percarbonate; vanadia for 1h; Cooling;	88%
With tetrabutyl ammonium fluoride In acetonitrile for 5h; Electrochemical reaction;	85%

: 540-54-5
1-Chloropropane

: 65-85-0
benzoic acid

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With 1,1'-(hexane-1,6-diyl)bis(1,8-diazabicyclo[5.4.0]undec-7-enium) dichlorine In ethanol; water at 70℃; for 2h; Green chemistry;	93%

: 106-94-5
propyl bromide

: 65-85-0
benzoic acid

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With 3,3'-(2,2'-(hexane-1,6-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(1-propyl-1H-benzo[d]imidazol-3-ium) chloride; triethylamine at 60℃; Reagent/catalyst; Temperature; Time;	91%
With tetrabutylammomium bromide; potassium carbonate In water; benzene for 6h; Heating;	84%

: 71-23-8
propan-1-ol

: 98-88-4
benzoyl chloride

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane for 0.133333h;	90%
With tetralin at 150℃;
With tetrabutyl ammonium fluoride; triethylamine In N,N-dimethyl-formamide Mechanism;
With triethylamine In dichloromethane at 20℃; for 12h;

: 71-23-8
propan-1-ol

: 98-07-7
Benzotrichlorid

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
at 20℃; for 3h; UV-irradiation;	90%
With C75H101BCoF2N8O14(1+)*ClO4(1-); N-ethyl-N,N-diisopropylamine for 24h; Irradiation;	76%
Product distribution; Mechanism; Irradiation; liquid beam-mltiphoton ionization technique (focused laser 274 nm); intermediates were determined by MS;
With sulfuric acid
With heptamethyl cobyrinate perchlorate; tetrabutylammonium perchlorate at 20℃; Electrolysis;	33 %Chromat.

: 532-32-1
sodium benzoate

: 106-94-5
propyl bromide

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
In dimethyl sulfoxide at 30℃; for 0.333333h; Ionic liquid;	90%

: 688-71-1
tri-n-propyl borate

: 140-29-4
phenylacetonitrile

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With pyridine; ferric(III) bromide; oxygen In chlorobenzene at 130℃; for 9h; Sealed tube;	90%

: 71-23-8
propan-1-ol

: 20718-17-6
2-(dimethyl(oxo)-λ6-sulfaneylidene)-1-phenylethan-1-one

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
at 120℃; for 40h; Sealed tube;	90%

: 71-23-8
propan-1-ol

: 55-21-0
benzamide

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;	88%
With cerium(IV) oxide In 1,3,5-trimethyl-benzene at 165℃; for 22h; Inert atmosphere; Sealed tube;	85%
With 2-[3,5-bis(trifluoromethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane; scandium tris(trifluoromethanesulfonate) for 24h; Reagent/catalyst; Reflux; Inert atmosphere; Schlenk technique;	88 %Spectr.

: 71-23-8
propan-1-ol

: 3064-19-5
1-benzoyl-2-(p-tosyl)hydrazine

A: 2315-68-6
propyl benzoate

B: 114376-01-1
propyl 4-methylbenzenesulfinate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid Heating;	A 87% B 82%

...Expand

: 937-61-1
benzyl propyl ether

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With 2-Nitrobenzenesulfonyl chloride In acetonitrile at -25℃; for 7h;	87%
With tert.-butylhydroperoxide; [2,2]bipyridinyl In decane; acetonitrile at 80℃; for 24h; Catalytic behavior; Sealed tube; Green chemistry; chemoselective reaction;	85%

: 110-74-7
propyl methanoate

: 55-21-0
benzamide

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;	86%

: 71-23-8
propan-1-ol

: 88743-84-4
N-benzoyl-N'-mesitylenesulphonylhydrazine

A: 2315-68-6
propyl benzoate

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With CuCl2*2H2O for 3h; Ambient temperature;	A 85% B 15%

...Expand

: 71-23-8
propan-1-ol

: 5145-65-3
N-benzoylpyrrole

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In toluene at 20℃; for 18h; Sealed tube; chemoselective reaction;	85%

: 71-23-8
propan-1-ol

: 93-89-0
benzoic acid ethyl ester

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h;	85%

: 71-23-8
propan-1-ol

: 132353-23-2
2-(benzyloxy)-4,6-dimethoxy-1,3,5-triazin

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With magnesium bromide In dichloromethane for 48h; Ambient temperature;	84%

: 71-23-8
propan-1-ol

: 100-51-6
benzyl alcohol

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With dihydrogen peroxide for 5h; Irradiation;	84%
With palladium 10% on activated carbon; oxygen; sodium carbonate at 120℃; under 15001.5 Torr; for 1.5h; Microwave irradiation; Green chemistry;	79%
With oxygen; potassium carbonate at 90℃; under 750.075 Torr; for 24h;	79.1%

: 109-60-4
1-Propyl acetate

: 55-21-0
benzamide

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;	84%

: 67-63-0
isopropyl alcohol

: 932-90-1
Benzaldoxime

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With dihydrogen peroxide; polystyrene-bound phenylseleninic acid for 8h; Heating;	83%

: 71-23-8
propan-1-ol

: 120-51-4
benzoic acid benzyl ester

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h;	83%

: 110-74-7
propyl methanoate

: 65-85-0
benzoic acid

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	82%

: 682-01-9
tetrapropoxysilane

: 140-29-4
phenylacetonitrile

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With pyridine; ferric(III) bromide; oxygen In chlorobenzene at 130℃; for 9h; Sealed tube;	82%

: 124-38-9
carbon dioxide

: 368-47-8
phenyltrifluorosilane

: 107-08-4
1-iodo-propane

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With cesium fluoride; copper(l) chloride In acetonitrile at 120℃; for 24h; Reagent/catalyst;	82%

...Expand

: 71-23-8
propan-1-ol

: 140-29-4
phenylacetonitrile

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With oxygen; copper diacetate In acetonitrile at 20 - 120℃; for 24h; Schlenk technique; Sealed tube;	82%

: 93-58-3
benzoic acid methyl ester

: 71-23-8
propan-1-ol

: 2315-68-6
propyl benzoate

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h;	80%
With chloro-trimethyl-silane for 2h; Heating;	68%
With potassium propylate
K2CO3 + 5percent Carbowax 6000 at 170℃; under 20 Torr;	12 % Chromat.
With fluorapatite-like natural phosphate at 97℃; for 48h;

: 2315-68-6
propyl benzoate

: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With C32H36ClNO2P2Ru; potassium tert-butylate; hydrogen In tetrahydrofuran at 120℃; under 38002.6 Torr; for 12h; Autoclave; Green chemistry;	99%
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 15h; Glovebox; Autoclave;	95%
With lithium aluminium tetrahydride In diethyl ether for 1h; Heating; Yield given;

: 2315-68-6
propyl benzoate

: 101-98-4
2-(N-benzyl-N-methyl)amino-1-ethanol

: 1-benzoyloxy-2-(benzyl-methyl-amino)-ethane

Conditions

Conditions	Yield
With potassium hydroxide	98.1%

: 2315-68-6
propyl benzoate

: 6739-34-0
1-propyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With hydrogen; platinum(II) chloride In ethanol at 60℃; under 750.075 - 1500.15 Torr; for 6h; Reagent/catalyst; Solvent; Temperature;	98%
With hydrogen In water at 100℃; under 37503.8 Torr; for 7h; Autoclave;	94.1%

: 880884-33-3
C19H33NO

: 2315-68-6
propyl benzoate

: C26H37NO2

Conditions

Conditions	Yield
With aluminum isopropoxide at 110 - 145℃; under 1 Torr; for 8h; Product distribution / selectivity;	90%
at 110 - 145℃; under 1 Torr; for 12h; Product distribution / selectivity;	48%

: 2315-68-6
propyl benzoate

: 100-46-9
benzylamine

: 1485-70-7
N-benzylbenzamide

Conditions

Conditions	Yield
With iron(III) chloride In acetonitrile at 80℃; for 1.5h; Sealed tube;	90%
With zirconocene dichloride In toluene at 110℃; for 20h;	32%

: 2315-68-6
propyl benzoate

: 100-51-6
benzyl alcohol

: 120-51-4
benzoic acid benzyl ester

Conditions

Conditions	Yield
With titanium(IV) isopropylate Heating; Fluorinert Fluid, Dean-Stark trap;	87%

Benzoic acid, propylester Specification

The Benzoic acid, propylester, with the CAS registry number 2315-68-6, is also known as n-Propyl benzoate. It belongs to the product categories of Organics; C10 to C11; Carbonyl Compounds; Esters. Its EINECS registry number is 219-020-8. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.2. Its IUPAC name is called propyl benzoate. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.

Physical properties of Benzoic acid, propylester: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 176.43; (5)ACD/BCF (pH 7.4): 176.43; (6)ACD/KOC (pH 5.5): 1411.58; (7)ACD/KOC (pH 7.4): 1411.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.501; (11)Molar Refractivity: 47.29 cm³; (12)Molar Volume: 160.3 cm³; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.024 g/cm³; (15)Flash Point: 97.2 °C; (16)Enthalpy of Vaporization: 46.81 kJ/mol; (17)Boiling Point: 231.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0625 mmHg at 25°C.

Preparation: this chemical can be prepared by benzaldehyde and propan-1-ol. This reaction will need reagent vanadium pentoxide, sodium percarbonate and perchloric acid. The yield is about 88%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
(3)InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N

Product Name

PROPYL BENZOATE

Synthetic route

Benzoic acid, propylester Specification

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