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| CAS No.: | 19224-26-1 |
|---|---|
| Name: | 1,2-PROPANEDIOL DIBENZOATE |
| Molecular Structure: | |
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|
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| 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 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
| Conditions | Yield |
|---|---|
| With Sb2(OCH2CH2O)3 at 180℃; for 30h; | 94% |
| sulfonic acid at 120 - 225℃; | |
| at 120 - 225℃; |
| Conditions | Yield |
|---|---|
| With dmap; 1-ethylene glycol monomethyl ether-3-methylimidazolium methanesulfonate at 25 - 35℃; | 92% |
| 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 | 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% |
| Conditions | Yield |
|---|---|
- 532-31-0
silver benzoate
- 19224-26-1
1,2-bis-benzoyloxy-propane
| 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 | Yield |
|---|---|
| With triethylamine In dichloromethane for 24h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 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 | 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; |
- 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 | Yield |
|---|---|
| With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 1h; Product distribution; Mechanism; other asymmetric 1,2-diol; |
- 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 | Yield |
|---|---|
| With triphenylphosphine In dichloromethane for 1h; Product distribution; Mechanism; Ambient temperature; other diols, other benzoylating agent; |
- Total:34 Page 1 of 1 1
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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: 31.15×10-24 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