Home >> Chemicals Listing >> hot product list by 4  

4,8,12-Tetradecatrienoicacid, 5,9,13-trimethyl-, (4E,8E)- (6040-06-8)

Identification
Name:4,8,12-Tetradecatrienoicacid, 5,9,13-trimethyl-, (4E,8E)-
Synonyms:4,8,12-Tetradecatrienoicacid, 5,9,13-trimethyl-, (E,E)- (8CI); (4E,8E)-Farnesylacetic acid; Farnesylaceticacid; trans,trans-Farnesylacetic acid
CAS:6040-06-8
Molecular Formula: C17H28 O2
Molecular Weight: 264.40
InChI: InChI=1/C23H30N2O3/c1-15(2)22(27)25-10-9-19-17(14-25)12-20(28-19)16-7-6-8-18(11-16)24-21(26)13-23(3,4)5/h6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,24,26)
Molecular Structure: (C17H28O2) 4,8,12-Tetradecatrienoicacid, 5,9,13-trimethyl-, (E,E)- (8CI); (4E,8E)-Farnesylacetic acid; Farnesyl...
Properties
Flash Point: 323.8°C
Boiling Point: 394 ºC
Density:0.930
Refractive index:1.4870
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

Flash Point: 323.8°C
Safety Data
 

Other Product