1,4-cineole
 
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IUPAC name :4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptane
InChI :InChI=1/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
InChIKey :RFFOTVCVTJUTAD-UHFFFAOYAJ
SMILES :CC(C)C12CCC(O1)(CC2)C
(EINECS) number :207-428-9
cas number :470-67-7
beilstein number :0104974
fema number :3658
coe number :11225
jecfa number :1233
fl. number :03.007
molar refractivity :45.70 ± 0.3 cm3
parachor :382.3 ± 6.0 cm3
index of refraction :1.490 ± 0.02
surface tension :34.4 ± 3.0 dyne/cm
density :0.977 ± 0.06 g/cm3
polarizability :18.11 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 154.2493200
formula :C10 H18 O
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :herbal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
cooling pine minty camphor terpene green
taste description³ :at 40.00 ppm.  
Cooling, minty, menthol-like, green and herbal, with a terpy and camphoraceous nuance
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88500 - 0.88800 @ 25.00 °C.
pounds per gallon - calc. : 7.364 to 7.389
refractive index :1.45000 - 1.45600 @ 20.00 °C.
melting point : -46.00 °C. @ 760.00 mm Hg
boiling point : 65.00 °C. @ 16.00 mm Hg
boiling point : 172.00 - 173.00 °C. @ 760.00 mm Hg
logp : 2.97
safety : 
Oral Toxicity(LD50) : Oral-Rat    3870.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5000.00  mg/kg    
  
flash point ( Deg. F. ) : 118.00  °F.  TCC  ( 47.78 °C. )
  
recommendation for 1,4-cineole usage levels up to :
  40.0000 % in the fragrance concentrate.
  
recommendation for 1,4-cineole usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :207-428-9
rtecs :OS9274000 for 470-67-7
chemidplus :000470677
epa-srs :470-67-7
  
other : 
 
references : 
jecfa number :1233
fl. number :03.007
pubchem :153341
NIST Chemistry WebBook :2845732728
  
reference : Mosciano, Gerard P&F 17, No. 3, 57, (1992)³
synonyms :
1,4-cineole
isocineole
1,4-epoxy-para-menthane
isoeucalyptol
1-methyl-4-(1-methyl ethyl)-7-oxabicyclo(2.2.1)heptane
1-isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane
soluble in :
 alcohol
 water, 153 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetoxy-1,8-cineole
 armoise oil
 buchu leaf oil
 cajuput oil
 cajuput oil vietnam
dextro-camphor
 cardamom seed oil
1,8-cineole
ortho-cresyl salicylate
 herbal undecane
 herbal undecanol
 hinoki leaf oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 hyssop oil
 lavender oil spike france
 lavender oil spike spain
 marjoram oil
para-menthane-3,8-diol
isomenthone
 niaouli oil
 petitgrain combava oil
(Z,Z)-photocitral A
alpha-pinene
 piperitone
 sabinene hydrate
 sage oil
laevo-verbenone
(odor and/or flavor) used in :
 citrus
 eucalyptus
 fruit tropical fruit
 lime
 mint
 spice
natural occurrence in :
data pageboldo leaf oil italy @ 0.92%
data pageboldus leaf oil chile @ 0.51%
brandy
cocoa
cubeb
grape
grapefruit juice
data pagejuniper needle oil @ 4.00%
data pagelavender spike water @ 29.13%
lemon
lime
data pagelime oil CO2 extract mexico @ 3.36%
data pagelime oil distilled mexico @ 2.32%
data pagelime oil distilled peru @ 3.52%
mandarin
orange
data pagetea tree oil australia @ trace%



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