Cas no 2451-86-7 (1,3-Propanediol,1,3-dibenzoate)
2451-86-7 structure
Product Name:1,3-Propanediol,1,3-dibenzoate
CAS No:2451-86-7
MF:C17H16O4
MW:284.306545257568
MDL:MFCD00030051
CID:271934
PubChem ID:17143
Update Time:2025-04-19
1,3-Propanediol,1,3-dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,1,3-dibenzoate
- 3-benzoyloxypropyl benzoate
- Benzoflex S-432
- TMETB
- Trimethyleneglycol, dibenzoate
- NSC-94553
- 2451-86-7
- BRN 2057480
- trimethylene glycol dibenzoate
- F77845
- SCHEMBL416566
- DTXSID10873949
- Benzoic acid diester with trimethylolethane
- 1,3-Propanediol dibenzoate
- 4-09-00-00361 (Beilstein Handbook Reference)
- SSEOOCRUUJYCKA-UHFFFAOYSA-N
- 1,3-dibenzoyloxypropane
- AS-77674
- 3-(Benzoyloxy)propyl benzoate #
- NCIOpen2_006086
- NSC94553
- propane-1,3-diyl dibenzoate
- 1,3-PROPANEDIOL, DIBENZOATE
- D93416
- Trimethylolethane benzoate
- NSC 94553
- XH1491
- CHEMBL5287488
-
- MDL： MFCD00030051
- Inchi： 1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
- InChI Key： SSEOOCRUUJYCKA-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CCCOC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 284.10488
- Monoisotopic Mass: 284.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 296
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Density: 1.171
- Boiling Point: 422.9°C at 760 mmHg
- Flash Point: 212.1°C
- Refractive Index: 1.561
- PSA: 52.6
- LogP: 3.09050
1,3-Propanediol,1,3-dibenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D964637-25mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 25mg |
$190 | 2024-06-06 | |
| eNovation Chemicals LLC | D964637-100mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 100mg |
$345 | 2024-06-06 | |
| Aaron | AR00BW5E-25mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 25mg |
$173.00 | 2025-02-10 | |
| Aaron | AR00BW5E-100mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 100mg |
$347.00 | 2025-02-10 | |
| 1PlusChem | 1P00BVX2-25mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 25mg |
$199.00 | 2024-05-21 | |
| 1PlusChem | 1P00BVX2-100mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 100mg |
$353.00 | 2024-05-21 | |
| A2B Chem LLC | AF53782-25mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 25mg |
$202.00 | 2024-04-20 | |
| A2B Chem LLC | AF53782-100mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 100mg |
$395.00 | 2024-04-20 | |
| eNovation Chemicals LLC | D964637-25mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 25mg |
$190 | 2025-02-25 | |
| eNovation Chemicals LLC | D964637-100mg |
1,3-Propanediol dibenzoate |
2451-86-7 | 95% | 100mg |
$345 | 2025-02-25 |
1,3-Propanediol,1,3-dibenzoate Related Literature
-
Gilles Degotte,Hélène Pendeville,Carla Di Chio,Roberta Ettari,Bernard Pirotte,Michel Frédérich,Pierre Francotte RSC Med. Chem. 2023 14 715
-
2. 1,5-Diborabicyclo[3.3.3]undecane; thermolysis of the product from hydroboration of triallylborane with triethylamine–boraneRoger W. Alder,Zhao Jin J. Chem. Soc. Perkin Trans. 1 1996 657
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3. Benzoyl methyl phosphate as an efficient reagent for the selective monobenzoylation of N-Bz-FTY720Hidemasa Hikawa,Maiko Hamada,Yuusaku Yokoyama,Isao Azumaya RSC Adv. 2014 4 23131
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