orris capronate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Orris iris topnotes.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :ethyl 2-ethylhexanoate
InChI :InChI=1/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChIKey :YXAGIRHBJJLWHW-UHFFFAOYAZ
SMILES :CCCCC(CC)C(=O)OCC
cas number :2983-37-1
(EINECS) number :221-043-3
fema number :4345
molar refractivity :50.11 ± 0.3 cm3
parachor :452.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :19.86 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 172.2646000 (IUPAC)
formula :C10 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :ethyl-2-ethyl hexanoate

organoleptics :
odor type :orris
odor strength :medium
odor description¹ :
at 100.00 %.  
fresh orris fruity herbal cumin
odor sample from :Henkel Corporation
substantivity :44  Hour(s)

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86000 @ 25.00 °C.
refractive index :1.41200 to 1.41600 @ 20.00 °C.
boiling point : 81.00 °C. @ 24.00 mm Hg
flash point : 155.00  °F.  TCC  ( 68.33 °C. )
logP (o/w) : 3.71

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Mouse    >3100.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for orris capronate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 23
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 4.0000020.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : 1.000005.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 2.0000010.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 1.000005.00000
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : 0.010000.04000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : 0.010000.04000

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
ethyl 2-ethylhexanoate
(EINECS) number :221-043-3
chemidplus :002983371
EPA Substance Registry Services :2983-37-1

references :
 
ethyl 2-ethylhexanoate
NIST Chemistry WebBook :2983371
pubchem :680410

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethyl 2-ethyl capronate
 ethyl 2-ethyl hexanoate
 ethyl 2-ethylcapronate
 ethyl 2-ethylhexanoate
2-ethyl ethyl capronate
 ethyl ethyl hexanoate
 ethyl ethylhexanoate
2-ethyl hexanoic acid ethyl ester
 irotyl
 orris capronate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
 amyl octanoateFL/FR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl tiglateFL
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
 butyl levulinateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
 carrot seed oilFL/FR
 carrot seed oil spainFL/FR
 cassis methanolFR
 chamomile propionateFR
 chamomile valerateFL/FR
 costus root absoluteFL
 costus root oilFL
 costus root resinoidFL
 cumin seed oilFL/FR
 cuminyl acetateFL/FR
 cuminyl alcoholFL/FR
isodecyl acetateFR
 diethyl dimethyl-2-cyclohexenoneFR
 diethyl malateFL
 dihydro-alpha-iononeFL/FR
 dihydro-beta-iononeFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl iononeFR
 ethyl 4-pentenoateFL/FR
 ethyl myristateFL/FR
 eugenyl formateFL/FR
isoeugenyl formateFL/FR
 formoxymethyl isolongifoleneFR
 geranyl tiglateFL/FR
(E)-2-hexenoic acidFL
 hexyl tiglateFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
 ionones 
alpha-ironeFL/FR
 jasmin absoluteFL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL/FR
 methyl alpha-iononeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isovalerateFL/FR
 methyl heptanoateFL
 methyl hexyl etherFL/FR
iso-alpha-methyl iononeFL/FR
N-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl ionones 
 myristyl alcoholFL/FR
 myrtenyl acetateFL/FR
 nonan-3-yl acetateFL/FR
 nonanalFL/FR
3-nonanoneFL/FR
(Z)-2-nonen-1-alFL/FR
(Z)-6-nonen-1-alFL/FR
2-nonene nitrileFL/FR
 nonisyl acetateFR
3-octanon-1-olFL/FR
 orris butanalFL/FR
 orris hexanoneFR
 orris pyridineFL/FR
 orris root concreteFL/FR
 peach cyclopentanoneFR
beta-sesquiphellandreneFL/FR
para-isopropyl acetophenoneFL/FR
 rose undeceneFR
 rue flower oil colombiaFL/FR
 rue oilFL/FR
 spathulenolFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL
 tetrahydrofurfuryl propionateFL
 tmh aldehydeFR
 tricyclodecenyl propionateFR
 violet dienyneFR
 viridiflorolFL/FR
 woody nonaneFR

potential uses :
 herbal
 moss
 orris iris
 violet
 woody

natural occurrence in :
 not found in nature  



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010