ethyl linolenate
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IUPAC name :ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
InChI :InChI=1/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
InChIKey :JYYFMIOPGOFNPK-UHFFFAOYAL
SMILES :O=C(CCCCCCC\C=C\C\C=C\C\C=C\CC)OCC
cas number :1191-41-9
(EINECS) number :214-734-6
beilstein number :1728340
coe number :712
fl. number :09.205
molar refractivity :96.65 ± 0.3 cm3
parachor :814.2 ± 4.0 cm3
index of refraction :1.475 ± 0.02
surface tension :31.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :38.31 ± 0.5 10-24cm3
XlogP : 6.60
molecular weight : 306.4827600
formula :C20 H34 O2
BioActivity Analysis :17389010
NMR Predictor :Predict
 
 
export tariff code :2916.15.5000
fda reg :unspecified
Suppliers :
Inoue :ETHYL LINOLENATE
Penta :ethyl linolenate
Sigma-Aldrich-Fluka :Ethyl linolenate
purum, ≥98.0% (GC)
organoleptics :
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 374.00 to 375.00 °C. @ 760.00 mm Hg
boiling point : 166.00 to 168.00 °C. @ 1.00 mm Hg
flash point : 213.00  °F.  TCC  ( 100.56 °C. )
logP (o/w) : 7.49
shelf life : 6.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Mouse    11120.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for ethyl linolenate usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Toxicology Citations :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(EINECS) number :214-734-6
RTECS :RG2185000 for 1191-41-9
chemidplus :001191419
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :1191-41-9
references :
 ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
fl. number :09.205
NIST Chemistry WebBook :1681313975
pubchem :656173
Cosmetics :
Cosmetic uses : emollients
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
 ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(Z,Z,Z)-9,12,15-octadecatrienoic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 emollients
natural occurrence in :
data pagemastic fruit oil @ 0.32%
data pagemastic leaf oil @ 11.30%
data pagepetitgrain mandarin oil @ 3.33%
data pagewitch hazel leaf oil @ 0.05%



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