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| CAS No.: | 623-65-4 |
|---|---|
| Name: | Palmitic anhydride |
| Molecular Structure: | |
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|
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| Formula: | C32H62O3 |
| Molecular Weight: | 494.842 |
| Synonyms: | Hexadecanoicacid, anhydride (9CI);Palmitic anhydride (6CI,7CI,8CI);Hexadecanoicanhydride;NSC 285112;Palmitic acid anhydride;Palmitoyl anhydride; |
| EINECS: | 210-805-0 |
| Density: | 0.887 g/cm3 |
| Melting Point: | 61-64 °C(lit.) |
| Boiling Point: | 488.6 °C at 760 mmHg |
| Flash Point: | 220.6 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-25 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 43.37000 |
| LogP: | 11.01880 |
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Specification
The cas register number of Palmitic anhydride is 623-65-4. It also can be called as Hexadecanoic anhydride and the IUPAC Name about this chemical is hexadecanoyl hexadecanoate.
Physical properties about Palmitic anhydride are: (1)ACD/LogP: 14.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 14.39; (4)ACD/LogD (pH 7.4): 14.39; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 30; (11)Polar Surface Area: 43.37Å2; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 152.1 cm3; (14)Molar Volume: 557.3 cm3; (15)Polarizability: 60.29x10-24cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Enthalpy of Vaporization: 75.48 kJ/mol; (18)Vapour Pressure: 1.07E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by Preparation: this chemical can be prepared by hexadecanoic acid. This reaction will need reagent 1,1'-carbonyldiimidazole and solvent CHCl3. The reaction time is 5 hour(s) at Ambient temperature.
Uses of Palmitic anhydride: it can be used to produce 4-hydroxy-3-isobutyryl-5H-furan-2-one with tetronic acid at Ambient temperature. This reaction will need reagent 4-N,N-dimethylaminopyridine, triethylamine, DCC and solvent CH2Cl2 . The yield is about 55%.
When you are using this chemical, please be cautious about it as the following:
This chemical could causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
(3)InChIKey: QWZBEFCPZJWDKC-UHFFFAOYSA-N