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| CAS No.: | 29548-30-9 |
|---|---|
| Name: | FARNESYL ACETATE |
| Molecular Structure: | |
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| Formula: | C17H28O2 |
| Molecular Weight: | 264.408 |
| Synonyms: | 2,6,10-Dodecatrien-1-ol,3,7,11-trimethyl-, acetate (7CI,8CI,9CI);1-Acetoxy-3,7,11-trimethyl-2,6,10-dodecatriene;3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate;Farnesol acetate;Farnesylacetate;NSC 132958; |
| EINECS: | 249-689-1 |
| Density: | 0.902 g/cm3 |
| Melting Point: | 63-64 °C (sublm) |
| Boiling Point: | 347.3 °C at 760 mmHg |
| Flash Point: | 103.4 °C |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 4.96870 |
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Specification
The Farnesyl acetate, with the cas registry number of 29548-30-9, has the systematic name of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate. Its product categories are various, including Biochemistry; Terpenes; Terpenes (Others). And the molecular formula of the chemical is C17H28O2.
The characteristics of this chemical are as following: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27264.25; (6)ACD/BCF (pH 7.4): 27264.25; (7)ACD/KOC (pH 5.5): 52069.43; (8)ACD/KOC (pH 7.4): 52069.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 82.28 cm3; (15)Molar Volume: 292.8 cm3; (16)Polarizability: 32.61×10-24cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.902 g/cm3; (19)Flash Point: 103.4 °C; (20)Enthalpy of Vaporization: 59.15 kJ/mol; (21)Boiling Point: 347.3 °C at 760 mmHg; (22)Vapour Pressure: 5.44E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C)C
(2)InChI: InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
(3)InChIKey: ZGIGZINMAOQWLX-NCZFFCEIBR