N,N-diethyl octanamide
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IUPAC name :N,N-diethyloctanamide
InChI :InChI=1/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3
InChIKey :FHJRFIYKPIXQNQ-UHFFFAOYAX
SMILES :CCCCCCCC(=O)N(CC)CC
cas number :996-97-4
(EINECS) number :213-639-7
molar refractivity :61.39 ± 0.3 cm3
parachor :540.3 ± 4.0 cm3
index of refraction :1.444 ± 0.02
surface tension :29.9 ± 3.0 dyne/cm
density :0.862 ± 0.06 g/cm3
polarizability :24.33 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 199.3330000 (IUPAC)
formula :C12 H25 N O
BioActivity Analysis :70329
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :spicy
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		spice sweet mint fresh tobacco woody fruity cigar box
Luebke, William tgsc, (1986)
odor sample from :Roure Bertrand Dupont Inc.
substantivity :68  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87600 @ 20.00 °C.
refractive index :1.45000 @ 20.00 °C.
boiling point : 258.00 to 259.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.50
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for N,N-diethyl octanamide fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for N,N-diethyl octanamide flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
 
 
 
N,N-diethyloctanamide
(EINECS) number :213-639-7
chemidplus :000996974
EPA Substance Registry Services :996-97-4
dtp/nci :3916
references :
 
N,N-diethyloctanamide
pubchem :212642
Cosmetics :
Cosmetic uses : masking agents
perfuming agents
other :
CosIng :cosmetic data
synonyms :
 caprylic acid diethyl amide
N,N-diethyl capryl amide
N,N-diethyl octanamide
N,N-diethyloctanamide
 insect-repellent 790
 octanoic acid diethyl amide
 sigaride
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
2-acetyl pyridineFL/FR
 amber caraneFR
 amber decatrieneFR
 ambrette seed absoluteFL/FR
alpha-amyl cinnamyl alcoholFL/FR
alpha-amyl cinnamyl isovalerateFL/FR
 amyl phenyl acetateFL/FR
 atractylis root oilFR
 beeswax absoluteFL/FR
 boronia butenalFR
 bran absoluteFR
 cadinadiene 
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
 caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cascarilla bark oilFL/FR
 cedarwood oil atlasFR
alpha-cedrene epoxideFR
 chamomile flower oil germanyFL/FR
 chamomile oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon leaf oilFL/FR
 cinnamyl propionateFL/FR
 clove bud absoluteFL/FR
alpha-copaene 
para-cresyl isovalerateFL/FR
 cyclohexanone diethyl acetalFL/FR
para-cymeneFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
delta-damasconeFL/FR
 deertongue absoluteFR
 dihydrojasmoneFL/FR
 elemi oilFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
3-ethyl pyridineFL/FR
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 galangal root oilFL/FR
 genet absoluteFL/FR
(E)-germacrene DFR
 ginger oleoresinFL
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
 hay absoluteFR
gamma-hexalactoneFL/FR
2-hexylidene cyclopentanoneFL/FR
 huon pine wood oilFR
2'-hydroxyacetophenoneFL/FR
 juniper berry oleoresinFL/FR
 lavender absoluteFL/FR
isolongifolene ketoneFR
 mace oilFL/FR
 mate absoluteFL/FR
 methyl 2-furoateFL/FR
2-methyl 3-(methyl thio) furan 10% in triacetinFL
 methyl benzoxoleFL/FR
 methyl heptadienoneFL/FR
 methyl nicotinateFL/FR
 methyl phenyl sulfideFL
6-methyl quinolineFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absoluteFL/FR
 mint lactoneFL/FR
gamma-muurolene 
 octanal diethyl acetalFL/FR
3-octanolFL/FR
 opoponax absoluteFL/FR
 paprika oleoresinFL/FR
 parsley seed oilFL/FR
 patchouli absoluteFR
ketoisophoroneFL/FR
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
 propenyl guaetholFL/FR
 propyl 2-furan acrylateFL/FR
2-propyl pyridineFL
 rhodinyl isobutyrateFL/FR
 rhubarb oxiraneFR
 rose carboxylateFR
 saffron indenoneFL/FR
 saffron resinoidFL/FR
 safranalFL/FR
 spicy carbonateFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 tansy oilFR
 theaspiraneFL/FR
(E)-tiglic acidFL/FR
 tobacco butenalFR
 tobacco cyclohexenoneFL/FR
 tobacco dodecaneFR
 tobacco flower absoluteFR
 tobacco leaf absoluteFR
 tobacco noneneFR
 tonka undecanoneFR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vanillin propylene glycol acetalFL/FR
 woodruff absoluteFR
 woody dioxolaneFR
 woody etherFR
 zedoary bark oilFL/FR
potential uses :
 cigar box
 cumin
 herbal
 spice
 tobacco tabac tabaco
 woody
natural occurrence in :    note
 not found in nature  

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