-
Name
(4E,8E)-5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid
- EINECS
- CAS No. 6040-06-8
- Article Data6
- CAS DataBase
- Density 0.93 g/cm3
- Solubility
- Melting Point
- Formula C17H28O2
- Boiling Point 393.8 °C at 760 mmHg
- Molecular Weight 264.408
- Flash Point 290.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4,8,12-Tetradecatrienoicacid, 5,9,13-trimethyl-, (E,E)- (8CI);(4E,8E)-Farnesylacetic acid;Farnesylaceticacid;trans,trans-Farnesylacetic acid;
- PSA 37.30000
- LogP 5.27040
Farnesylacetic acid Specification
The Farnesylacetic acid with its cas register number is 6040-06-8. It also can be called as (4E,8E)-5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid and the Systematic name about this chemical is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid.
Physical properties about Farnesylacetic acid are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 3072.2; (6)ACD/BCF (pH 7.4): 48.29; (7)ACD/KOC (pH 5.5): 5875.5; (8)ACD/KOC (pH 7.4): 92.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 82.07 cm3; (15)Molar Volume: 284 cm3; (16)Polarizability: 32.53x10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 70.66 kJ/mol; (19)Vapour Pressure: 2.67E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC/C=C(/CC\C=C(/C)CC\C=C(/C)C)C
(2)InChI: InChI=1/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
(3)InChIKey: VOKDWPMRYSKGTB-NCZFFCEIBM
(4)Std. InChI: InChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
(5)Std. InChIKey: VOKDWPMRYSKGTB-NCZFFCEISA-N
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