2,4,6-trimethyl heptane
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IUPAC name :2,4,6-trimethylheptane
InChI :InChI=1/C10H22/c1-8(2)6-10(5)7-9(3)4/h8-10H,6-7H2,1-5H3
SMILES :CC(C)CC(C)CC(C)C
cas number :2613-61-8
molar refractivity :48.25 ± 0.3 cm3
parachor :422.1 ± 4.0 cm3
index of refraction :1.410 ± 0.02
surface tension :22.0 ± 3.0 dyne/cm
density :0.730 ± 0.06 g/cm3
polarizability :19.12 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 142.2816800
formula :C10 H22
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 147.00 to 149.00 °C. @ 760.00 mm Hg
flash point : 98.00  °F.  TCC  ( 36.67 °C. )
logP (o/w) : 5.03
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
 
 
 
 2,4,6-trimethylheptane
chemidplus :002613618
EPA Substance Registry Services :2613-61-8
references :
 2,4,6-trimethylheptane
NIST Chemistry WebBook :3870920406
pubchem :713999
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2,4,6-trimethylheptane
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagecilantro leaf oil @ 0.10-0.12%



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