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Name |
2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative |
EINECS | 263-228-1 |
CAS No. | 61792-55-0 | Density | 0.886 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H22O2 | Boiling Point | 251.9 °C at 760 mmHg |
Molecular Weight | 198.30 | Flash Point | 83.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
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Hazard Symbols | N/A |
Synonyms |
4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro derivative; |
The 2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative with the CAS registry number 61792-55-0, is also known as 4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro derivative. Its EINECS number is 263-228-1. This chemical's molecular formula is C12H22O2 and molecular weight is 198.30. What's more, its systematic name is 5-Methyl-2-(propan-2-ylidene)hexyl acetate.
Physical properties of 2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative are: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1729.2; (6)ACD/BCF (pH 7.4): 1729.2; (7)ACD/KOC (pH 5.5): 7231.83; (8)ACD/KOC (pH 7.4): 7231.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 59.12 cm3; (15)Molar Volume: 223.6 cm3; (16)Polarizability: 23.43×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.886 g/cm3; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 48.93 kJ/mol; (21)Boiling Point: 251.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0199 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=C(/C)C)\CCC(C)C)C
(2)Std. InChI: InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9H,6-8H2,1-5H3
(3)Std. InChIKey: BKMLPORNNFVXMA-UHFFFAOYSA-N