Product Name

  • Name

    1,2-PROPANEDIOL DIBENZOATE

  • EINECS 242-894-7
  • CAS No. 19224-26-1
  • Article Data19
  • CAS DataBase
  • Density 1.169 g/cm3
  • Solubility 7.7mg/L at 20℃
  • Melting Point -3 °C(lit.)
  • Formula C17H16O4
  • Boiling Point 385.5 °C at 760 mmHg
  • Molecular Weight 284.312
  • Flash Point 206.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 19224-26-1 (1,2-PROPANEDIOL DIBENZOATE)
  • Hazard Symbols
  • 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;
  • PSA 52.60000
  • LogP 3.08890

Synthetic route

propylene glycol
57-55-6

propylene glycol

benzoic acid
65-85-0

benzoic acid

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With Sb2(OCH2CH2O)3 at 180℃; for 30h;94%
sulfonic acid at 120 - 225℃;
at 120 - 225℃;
benzoyl cyanide
613-90-1

benzoyl cyanide

propylene glycol
57-55-6

propylene glycol

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With dmap; 1-ethylene glycol monomethyl ether-3-methylimidazolium methanesulfonate at 25 - 35℃;92%
propylene glycol
57-55-6

propylene glycol

benzoic acid anhydride
93-97-0

benzoic acid anhydride

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 40℃; for 8h;85%
propylene glycol
57-55-6

propylene glycol

diethyl benzoylphosphonate
3277-27-8

diethyl benzoylphosphonate

A

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

1-hydroxyprop-2-yl benzoate

B

2-hydroxypropyl benzoate
37086-84-3

2-hydroxypropyl benzoate

C

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
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%
1,2-Dibromopropane
78-75-1

1,2-Dibromopropane

silver benzoate
532-31-0

silver benzoate

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
silver benzoate
532-31-0

silver benzoate

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With iodine; benzene anschliessend Behandeln mit Propen;
propylene glycol
57-55-6

propylene glycol

N-benzoyloxybenzotriazole
54769-36-7

N-benzoyloxybenzotriazole

A

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

1-hydroxyprop-2-yl benzoate

B

2-hydroxypropyl benzoate
37086-84-3

2-hydroxypropyl benzoate

C

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With triethylamine In dichloromethane for 24h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
propylene glycol
57-55-6

propylene glycol

benzoyl chloride
98-88-4

benzoyl chloride

A

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

1-hydroxyprop-2-yl benzoate

B

2-hydroxypropyl benzoate
37086-84-3

2-hydroxypropyl benzoate

C

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
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;
propylene glycol
57-55-6

propylene glycol

benzoic acid
65-85-0

benzoic acid

A

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

1-hydroxyprop-2-yl benzoate

B

2-hydroxypropyl benzoate
37086-84-3

2-hydroxypropyl benzoate

C

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 1h; Product distribution; Mechanism; other asymmetric 1,2-diol;
propylene glycol
57-55-6

propylene glycol

dibenzoyl peroxide
94-36-0

dibenzoyl peroxide

A

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

1-hydroxyprop-2-yl benzoate

B

2-hydroxypropyl benzoate
37086-84-3

2-hydroxypropyl benzoate

C

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With triphenylphosphine In dichloromethane for 1h; Product distribution; Mechanism; Ambient temperature; other diols, other benzoylating agent;
benzoyl chloride
98-88-4

benzoyl chloride

(+-)-propylene glycol

(+-)-propylene glycol

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With pyridine
benzoyl chloride
98-88-4

benzoyl chloride

lead sulfide

lead sulfide

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 85 percent / Et3N / CH2Cl2 / 0.33 h
2: Et3N / CH2Cl2 / 24 h / Ambient temperature
View Scheme
benzoyl fluoride
455-32-3

benzoyl fluoride

C21H26O2Si

C21H26O2Si

A

2-((1,3-diphenylprop-2-yn-1-yl)oxy)propyl benzoate

2-((1,3-diphenylprop-2-yn-1-yl)oxy)propyl benzoate

B

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

1,2-bis-benzoyloxy-propane

Conditions
ConditionsYield
With dmap In chloroform-d1 at 20℃; Inert atmosphere; Overall yield = 30.6 mg;
1,2-bis-benzoyloxy-propane
19224-26-1

1,2-bis-benzoyloxy-propane

A

[(1R)-2-hydroxy-1-methyl-ethyl]benzoate
113566-74-8

[(1R)-2-hydroxy-1-methyl-ethyl]benzoate

B

(S)-1-hydroxypropan-2-yl benzoate
113566-73-7

(S)-1-hydroxypropan-2-yl benzoate

Conditions
ConditionsYield
With octanol; Pseudomonas sp. lipase PS*celite In di-isopropyl ether at 20℃; Product distribution; Further Variations:; Reagents;

1,2-Propanediol,1,2-dibenzoate 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: 31.15×10-24 cm3; (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

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