CAS No.19224-26-1,1,2-PROPANEDIOL DIBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19224-26-1
Name:	1,2-PROPANEDIOL DIBENZOATE
Article Data:	19

Formula:	C₁₇H₁₆O₄
Molecular Weight:	284.312
Synonyms:	1,2-Propanediol,dibenzoate (6CI,8CI,9CI);1,2-Propylene glycol dibenzoate;Benzoflex 284;Propylene glycol dibenzoate;Bis(benzoic acid)propane-1,2-diyl ester;2-(Benzoyloxy)propyl benzoate;
EINECS:	242-894-7
Density:	1.169 g/cm³
Melting Point:	-3 °C(lit.)
Boiling Point:	385.5 °C at 760 mmHg
Flash Point:	206.7 °C
Solubility:	7.7mg/L at 20℃
PSA:	52.60000
LogP:	3.08890

Synthetic route

: 57-55-6
propylene glycol

: 65-85-0
benzoic acid

: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With Sb2(OCH2CH2O)3 at 180℃; for 30h;	94%
sulfonic acid at 120 - 225℃;
at 120 - 225℃;

: 613-90-1
benzoyl cyanide

: 57-55-6
propylene glycol

: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With dmap; 1-ethylene glycol monomethyl ether-3-methylimidazolium methanesulfonate at 25 - 35℃;	92%

: 57-55-6
propylene glycol

: 93-97-0
benzoic acid anhydride

: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 40℃; for 8h;	85%

: 57-55-6
propylene glycol

: 3277-27-8
diethyl benzoylphosphonate

A: 51591-52-7
1-hydroxyprop-2-yl benzoate

B: 37086-84-3
2-hydroxypropyl benzoate

C: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 0.333333h; Product distribution; Ambient temperature;	A 17 % Spectr. B 83 % Spectr. C 8%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 0.333333h; Ambient temperature;	A 17 % Spectr. B 83 % Spectr. C 8%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 0.333333h; Ambient temperature; Title compound not separated from byproducts;	A 17 % Spectr. B 83 % Spectr. C 8%

...Expand

: 78-75-1
1,2-Dibromopropane

: 532-31-0
silver benzoate

: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield

: 532-31-0
silver benzoate

: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With iodine; benzene anschliessend Behandeln mit Propen;

: 57-55-6
propylene glycol

: 54769-36-7
N-benzoyloxybenzotriazole

A: 51591-52-7
1-hydroxyprop-2-yl benzoate

B: 37086-84-3
2-hydroxypropyl benzoate

C: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 24h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 57-55-6
propylene glycol

: 98-88-4
benzoyl chloride

A: 51591-52-7
1-hydroxyprop-2-yl benzoate

B: 37086-84-3
2-hydroxypropyl benzoate

C: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
multistep reaction: monoacylation of diols with reversed chemoselectivity; other diols; quenching with chlorosilanes;
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 57-55-6
propylene glycol

: 65-85-0
benzoic acid

A: 51591-52-7
1-hydroxyprop-2-yl benzoate

B: 37086-84-3
2-hydroxypropyl benzoate

C: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 1h; Product distribution; Mechanism; other asymmetric 1,2-diol;

...Expand

: 57-55-6
propylene glycol

: 94-36-0
dibenzoyl peroxide

A: 51591-52-7
1-hydroxyprop-2-yl benzoate

B: 37086-84-3
2-hydroxypropyl benzoate

C: 19224-26-1
1,2-bis-benzoyloxy-propane

Conditions

Conditions	Yield
With triphenylphosphine In dichloromethane for 1h; Product distribution; Mechanism; Ambient temperature; other diols, other benzoylating agent;

...Expand

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Specification

The 1,2-Propanediol,1,2-dibenzoate, with the CAS registry number 19224-26-1, is also known as Propylene glycol dibenzoate. Its EINECS number is 242-894-7. It belongs to the product categories of C₁₂ to C₆₃; Carbonyl Compounds; Esters. This chemical's molecular formula is C₁₇H₁₆O₄ and molecular weight is 284.31. What's more, its systematic name is Propane-1,2-diyl dibenzoate. It should be sealed and stored in cool and dry places and be protected from oxidizers.

Physical properties of 1,2-Propanediol,1,2-dibenzoate are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2763.24; (6)ACD/BCF (pH 7.4): 2763.24; (7)ACD/KOC (pH 5.5): 10114.94; (8)ACD/KOC (pH 7.4): 10114.94; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 78.59 cm³; (15)Molar Volume: 243 cm³; (16)Polarizability: 31.15×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.169 g/cm³; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 385.5 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)COC(=O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
(3)InChIKey: UMVMVEZHMZTUHD-UHFFFAOYSA-N