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| Name |
2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)- |
EINECS | 217-691-1 |
| CAS No. | 1931-62-0 | Density | 1.185 g/cm3 |
| PSA | 72.83000 | LogP | 0.90050 |
| Solubility | 642mg/L at 20℃ | Melting Point |
130-131 °C |
| Formula | C8H12O5 | Boiling Point | 260.8 °C at 760 mmHg |
| Molecular Weight | 188.18 | Flash Point | 98 °C |
| Transport Information | N/A | Appearance | white viscous paste |
| Safety | 36/37/39-3/7-26-14A | Risk Codes | 7-41-36/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, O
|
| Synonyms |
2-Propeneperoxoicacid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (Z)-;Maleic monoperoxyacid,1-tert-butyl ester (8CI);Maleic monoperoxyacid, OO-tert-butyl ester (6CI,7CI);Luperco PMA 25;Perbutyl MA;Perbutyl MA 25;tert-Butyl monopermaleate;tert-Butyl monoperoxymaleate;tert-Butyl peroxymaleate;tert-Butyl peroxymaleicacid; |
2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)- Synthetic route
| Conditions | Yield |
|---|---|
| at 50 - 51℃; |
- 20614-18-0
α-chloroethyl tert-butyl peroxide
- 1931-62-0
OO-tert-butyl monoperoxymaleate
- 86780-19-0
1-(tert-butylperoxy)ethyl tert-butyl peroxymaleate
| Conditions | Yield |
|---|---|
| With triethylamine In chloroform at 20℃; for 0.166667h; | 91% |
2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)- Specification
The 2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-, with the CAS registry number 1931-62-0, is also known as CID5702664. Its EINECS registry number is 217-691-1. This chemical's molecular formula is C8H12O5 and molecular weight is 188.17788. Its IUPAC name is called (Z)-4-tert-butylperoxy-4-oxobut-2-enoic acid. This chemical is white viscous paste.
Physical properties of 2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-: (1)ACD/LogP: 1.89; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Index of Refraction: 1.469; (6)Molar Refractivity: 44.21 cm3; (7)Molar Volume: 158.7 cm3; (8)Surface Tension: 39.9 dyne/cm; (9)Density: 1.185 g/cm3; (10)Flash Point: 98 °C; (11)Enthalpy of Vaporization: 54.88 kJ/mol; (12)Boiling Point: 260.8 °C at 760 mmHg; (13)Vapour Pressure: 0.00358 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It will react exothermically with other chemicals. In addition, it is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OOC(=O)C=CC(=O)O
(2)Isomeric SMILES: CC(C)(C)OOC(=O)/C=C\C(=O)O
(3)InChI: InChI=1S/C8H12O5/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4-
(4)InChIKey: RQHGZNBWBKINOY-PLNGDYQASA-N
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