(E)-squalene
 
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IUPAC name :(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
InChI :InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey :YYGNTYWPHWGJRM-FLHYQJCXBN
SMILES :CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)/C)/C)C
(EINECS) number :203-826-1
cas number :111-02-4
beilstein number :1728919
molar refractivity :140.43 ± 0.3 cm3
parachor :1126.0 ± 4.0 cm3
index of refraction :1.491 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.848 ± 0.06 g/cm3
polarizability :55.67 ± 0.5 10-24cm3
xlogp : 8.30
molecular weight : 410.7180000
formula :C30 H50
 
 
export tariff code :2901.29.5000
fda reg :unspecified
 

organoleptics :
odor description :
at 100.00 %.  
floral

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 @ 25.00 °C.
boiling point : 429.00 to 430.00 °C. @ 760.00 mm Hg
boiling point : 285.00 °C. @ 25.00 mm Hg
logp : 14.12

safety :
Oral Toxicity(LD50) : Oral-Mouse    5000.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )

safety references :
EPI System :view
 
 
 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
(EINECS) number :203-826-1
RTECS :XB6010000 for 111-02-4
chemidplus :000111024
EPA Substance Registry Services :111-02-4
NLM Chemical Carcinogenesis Research Information System :111-02-4
NLM Developmental and Reproductive Toxicity :111-02-4
NLM Env. Mutagen Info. Center :111-02-4
NLM GENetic TOXicology :111-02-4

references :
 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
pubchem :151213
NIST Chemistry WebBook :3462159090

other :
synonyms :
(6Z,10E,14E,18E)- 2,6,10,15,19,23-hexamethyl tetracosa-2,6,10,14,18,22-hexaene
(all-E)- 2,6,10,15,19,23-hexamethyl tetracosa-2,6,10,14,18,22-hexaene
(all-E)-spinacene
(E,E,E,E)-squalene
(E)-squalene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 antistatic agents
 emollients

natural occurrence in :
cottonseed oil
data pagefennel absolute sweet @ 0.20%
rapeseed oil
vegetable oil
data pagewitch hazel leaf oil @ 0.09%



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Html Last modified 11/29/2008