ethyl stearate
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IUPAC name :ethyl octadecanoate
InChI :InChI=1/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey :MVLVMROFTAUDAG-UHFFFAOYAC
SMILES :CCCCCCCCCCCCCCCCCC(=O)OCC
cas number :111-61-5
(EINECS) number :203-887-4
beilstein number :1788183
fema number :3490
coe number :745
jecfa number :40
fl. number :09.210
molar refractivity :96.48 ± 0.3 cm3
parachor :852.5 ± 4.0 cm3
index of refraction :1.445 ± 0.02
surface tension :30.7 ± 3.0 dyne/cm
density :0.862 ± 0.06 g/cm3
polarizability :38.24 ± 0.5 10-24cm3
XlogP : 7.80
molecular weight : 312.5304000
formula :C20 H40 O2
BioActivity Analysis :74533
NMR Predictor :Predict
 
 
export tariff code :2915.70.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :ethyl stearate
95% min. natural
Fontarome :ETHYL STEARATE
Odor:  Virtually odorless
Inoue :ETHYL STEARATE
Penta :ethyl stearate
Sigma-Aldrich-SAFC :Ethyl stearate
≥97%

organoleptics :
odor type :waxy
odor strength :low
odor description :
at 100.00 %.  
mild waxy

properties :
appearence :white clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 35.00 to 38.00 °C. @ 760.00 mm Hg
boiling point : 213.00 to 215.00 °C. @ 15.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 8.72
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for ethyl stearate usage levels up to :
  8.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 ethyl octadecanoate
(EINECS) number :203-887-4
RTECS :W13600000 for 111-61-5
chemidplus :000111615
EPA Substance Registry Services :111-61-5
dtp/nci :8919

references :
 ethyl octadecanoate
fl. number :09.210
jecfa number :40
NIST Chemistry WebBook :4175015888
pubchem :151250

Cosmetics :
Cosmetic uses : emollients
perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ethyl N-octadecanoate
 ethyl octadecanoate
 octadecanoic acid ethyl ester
 stearic acid ethyl ester

soluble in :
 alcohol
 water, 0.000369 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl cyclohexyl propionate
 allyl octanoate
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
isoamyl laurate
6-amyl-alpha-pyrone
 benzyl laurate
 dairy lactone
2,4-decadien-1-ol
 decanal / methyl anthranilate schiff's base
(E)-2-decen-1-al
(E)-2-decen-1-ol
(Z)-5-decen-1-ol
(E)-2-decen-1-yl acetate
 dodecanal
 dodecanol
 ethyl (E)-2-octenoate
 ethyl hexanoate
 ethyl undecanoate
 ethyl undecylenate
 jasmin absolute pommade
 jasmin concrete italy
 jasmin concrete morocco
 methyl 10-undecenal
 methyl myristate
4-methyl octanoic acid
 methyl undecanoate
 myristic acid
2,4-nonadien-1-ol
(Z)-2-nonen-1-al
(E)-2-octenoic acid
 palmitic acid
 tetradecanal

(odor and/or flavor) used in :
 beer bantu beer
 emollients
 grape
 grape brandy
 plum brandy

natural occurrence in :
bantu beer
brandy grape brandy
brandy plum brandy
grape
data pagepetitgrain mandarin oil @ 0.16%
rum
whiskey
wine



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