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- 2-Butene-1,4-diol
- 2-Butene-1,4-diol
- 2-Butene-1,4-diol,1,4-diacetate, (2Z)-
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Cas Database |
| Name |
2-Butene-1,4-diol,1,4-diacetate, (2Z)- |
EINECS | -0 |
| CAS No. | 25260-60-0 | Density | 1.068 g/cm3 |
| PSA | 52.60000 | LogP | 0.66880 |
| Solubility | Not miscible in water. | Melting Point |
N/A |
| Formula | C8H12O4 | Boiling Point | 230.905 °C at 760 mmHg |
| Molecular Weight | 172.181 | Flash Point | 108.29 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Butene-1,4-diol,diacetate, (2Z)- (9CI);2-Butene-1,4-diol, diacetate, (Z)- (8CI);(Z)-1,4-Diacetoxybut-2-ene;(Z)-2-Butene-1,4-diyl diacetate;(Z)-4-(Acetyloxy)-2-butenyl acetate;cis-1,4-Diacetoxy-2-butene;cis-2-Butene-1,4-diol diacetate;cis-Diacetoxy-2-butene; |
Article Data | 4 |
2-Butene-1,4-diol,1,4-diacetate, (2Z)- Specification
The 2-Butene-1,4-diol,1,4-diacetate, (2Z)-, with the CAS registry number 25260-60-0, is also known as cis-2-Butene-1,4-diol diacetate. This chemical's molecular formula is C8H12O4 and molecular weight is 172.17848. Its IUPAC name is called [(Z)-4-acetyloxybut-2-enyl] acetate.
Physical properties of 2-Butene-1,4-diol,1,4-diacetate, (2Z)-: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.991; (3)ACD/LogD (pH 7.4): 0.991; (4)ACD/BCF (pH 5.5): 3.333; (5)ACD/BCF (pH 7.4): 3.333; (6)ACD/KOC (pH 5.5): 82.391; (7)ACD/KOC (pH 7.4): 82.391; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 42.719 cm3; (12)Molar Volume: 161.168 cm3; (13)Surface Tension: 33.281 dyne/cm; (14)Density: 1.068 g/cm3; (15)Flash Point: 108.29 °C; (16) Enthalpy of Vaporization: 46.755 kJ/mol; (17)Boiling Point: 230.905 °C at 760 mmHg; (18)Vapour Pressure: 0.064 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system 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(=O)OCC=CCOC(=O)C
(2)Isomeric SMILES: CC(=O)OC/C=C\COC(=O)C
(3)InChI: InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
(4)InChIKey: VZUAUHWZIKOMFC-ARJAWSKDSA-N
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