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CAS No.: | 2306-78-7 |
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Name: | NEROLIDYL ACETATE |
Molecular Structure: | |
Formula: | C17H28O2 |
Molecular Weight: | 264.408 |
Synonyms: | 1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-, acetate (7CI,8CI,9CI);NSC 72036; |
EINECS: | 218-978-4 |
Density: | 0.897 g/cm3 |
Boiling Point: | 334.6 °C at 760 mmHg |
Flash Point: | 95.3 °C |
PSA: | 26.30000 |
LogP: | 4.96710 |
The NEROLIDYL ACETATE is an organic compound with the formula C17H28O2. The IUPAC name of this chemical is 3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate. With the CAS registry number 2306-78-7, it is also named as Nerolidyl acetate.
Physical properties about NEROLIDYL ACETATE are: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 26.3 Å2; (6)Index of Refraction: 1.469; (7)Molar Refractivity: 82.07 cm3; (8)Molar Volume: 294.6 cm3; (9)Polarizability: 32.53×10-24cm3; (10)Surface Tension: 29 dyne/cm; (11)Density: 0.897 g/cm3; (12)Flash Point: 95.3 °C; (13)Enthalpy of Vaporization: 57.75 kJ/mol; (14)Boiling Point: 334.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(\C=C)(CC/C=C(/CC\C=C(/C)C)C)C)C
(2)InChI: InChI=1/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
(3)InChIKey: PRNJXUQTUSFYLV-NTCAYCPXBL
(4)Std. InChI: InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
(5)Std. InChIKey: PRNJXUQTUSFYLV-NTCAYCPXSA-N