coconut naphthalenone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
InChI :InChI=1/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3
InChIKey :NGSXTBFUMNXJDK-UHFFFAOYAY
SMILES :CC1=CC2=CC(=O)CCC2CC1
(EINECS) number :252-079-8
cas number :34545-88-5
fema number :3715
coe number :7136
jecfa number :1405
fl. number :07.136
molar refractivity :48.34 ± 0.4 cm3
parachor :382.4 ± 6.0 cm3
index of refraction :1.528 ± 0.03
surface tension :35.2 ± 5.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :19.16 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 162.2282600
formula :C11 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
International Flavors & Fragrances :Kumarone™
 ≥97.00%, Kosher
 
 

organoleptics :
odor type :coconut
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
toasted coconut tonka

properties :
appearence :white crystalline powder
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 36.00 - 37.00 °C. @ 760.00 mm Hg
boiling point : 305.00 - 306.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.13
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 250.00  °F.  TCC  ( 121.11 °C. )
  
recommendation for coconut naphthalenone usage levels up to :
  1.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :252-079-8
chemidplus :034545885
epa-srs :34545-88-5
dtp/nci :75764
  

other :
 

references :
jecfa number :1405
fl. number :07.136
pubchem :198335
  
synonyms :
 coconut naphthalenone
 kumarone
4,4a,5,6-tetrahydro-7-methyl naphthalene-2(3H)-one
4,4a,5,6-tetrahydro-7-methyl-2(3H)-naphthalenone
soluble in :
 alcohol
 water
(odor and/or flavor) blends with :
 amyl heptanoate
isoamyl octanoate
6-amyl-alpha-pyrone
para-anisyl acetate
 coconut decanone
 coconut naphthalenone
 costus valerolactone
 coumane
 coumarin
 creamy lactone
alpha-decalactone
delta-decalactone
gamma-decalactone
 deertongue absolute
 deertongue concrete
 deertongue oleoresin
 dehydromenthofurolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrocoumarin
 dihydrojasmone lactone
 dimethyl benzofuranone
delta-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl undecanoate
 flouve absolute
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 hay absolute
 heliotropin
delta-heptalactone
gamma-heptalactone
2-heptanone
gamma-hexalactone
 hexen-1-yl cyclopentanone
4-hydroxybenzyl alcohol
 immortelle absolute
 jasmin lactone
 lauric acid
 lovage oleoresin
 massoia bark oil
 massoia lactone
 methyl (Z)-5-octenoate
6-methyl coumarin
7-methyl coumarin
 methyl coumarins
 methyl heptadienone
 methyl laurate
6-methyl quinoline
 mint lactone
 myristyl alcohol
 myrtenal
delta-nonalactone
gamma-nonalactone
 octahydrocoumarin
delta-octalactone
gamma-octalactone
2-pentyl cyclopentanone
 phthalide
 pine needle absolute
 propyl octanoate
isopropyl octanoate
 syringaldehyde
 tetrahydrojasmone
 tonka bean absolute
 tonka bean oleoresin
 tonka bean resinoid
 tonka furanone
 tonka ketone
 tonka undecanone
 tonkavert
2-tridecanone
delta-undecalactone
 undecanoic acid
 vanillyl alcohol
 whiskey lactone
 wine lactone
(odor and/or flavor) used in :
 coconut
 dairy
 tonka
 tropical
natural occurrence in :
not found in nature



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