alpha-decalactone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-hexyloxolan-2-one
InChI :InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3
InChIKey :IBVDLVUXSDSVQF-UHFFFAOYAA
SMILES :CCCCCCC1CCOC1=O
(EINECS) number :242-316-3
cas number :18436-37-8
molar refractivity :48.04 ± 0.3 cm3
parachor :424.4 ± 6.0 cm3
index of refraction :1.446 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :0.946 ± 0.06 g/cm3
polarizability :19.04 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 170.2487200
formula :C10 H18 O2
 
 
fda reg :unspecified h. number :2932.29.6000
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
floral sweet grassy fruity green coconut
substantivity :168  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 265.00 - 266.00 °C. @ 760.00 mm Hg
logp : 2.39
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 222.00  °F.  TCC  ( 105.56 °C. )
  
recommendation for alpha-decalactone usage levels up to :
  0.5000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :242-316-3
chemidplus :018436378
epa-srs :18436-37-8
  
other : 
 
references : 
pubchem :663583
NIST Chemistry WebBook :3159861146
  
synonyms :
alpha-decalactone
3-hexyl dihydro-2(3H)-furanone
3-hexyl dihydrofuran-2(3H)-one
 hexyl dihydrofuranone
3-hexyl oxolan-2-one
alpha-hexyl-gamma-butyrolactone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
(Z)-3-hexen-1-yl salicylate
 methyl dihydrojasmonate
 methyl jasmonate
 ocean propanal
 printanyl/c
(odor and/or flavor) used in :
 calandre
 coconut
 diorella
 fern fougere
 floral
 gardenia
 grass
 green
 jasmin
 leaf
 oily
natural occurrence in :
not found in nature



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