jasmin lactone
 
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IUPAC name :6-[(E)-pent-2-enyl]oxan-2-one
InChI :InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3+
InChIKey :XPPALVZZCMPTIV-ONEGZZNKBG
SMILES :CC\C=C\CC1CCCC(=O)O1
(EINECS) number :252-148-2
cas number :34686-71-0
fl. number :10.033
molar refractivity :48.07 ± 0.3 cm3
parachor :412.0 ± 6.0 cm3
index of refraction :1.462 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.962 ± 0.06 g/cm3
polarizability :19.05 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
IUPAC name :6-[(Z)-pent-2-enyl]oxan-2-one
InChI :InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKey :XPPALVZZCMPTIV-ARJAWSKDBR
SMILES :CC\C=C/CC1CCCC(=O)O1
cas number :34686-71-0
fl. number :10.033
molar refractivity :48.07 ± 0.3 cm3
parachor :412.0 ± 6.0 cm3
index of refraction :1.462 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.962 ± 0.06 g/cm3
polarizability :19.05 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
fda reg :unspecified h. number :2932.29.6000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
oily fruity petal floral absolute jasmin tuberose peach apricot coconut
substantivity :400  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97900 - 0.98900 @ 25.00 °C.
pounds per gallon - calc. : 8.146 to 8.229
boiling point : 130.00 °C. @ 3.00 mm Hg
logp : 2.01
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :0.22 (μg/capita/day)
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for jasmin lactone usage levels up to :
  3.0000 % in the fragrance concentrate.
  
recommendation for jasmin lactone usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :252-148-2
chemidplus :034686710
epa-srs :34686-71-0
  
chemidplus :34686-71-0
epa-srs :34686-71-0
  
other : 
 
references : 
fl. number :10.033
pubchem :694893
  
fl. number :10.033
pubchem :34686-71-0
  
synonyms :
5-hydroxy-8-decenoic acid delta-lactone
 jasmin lactone
6-((E)-pent-2-enyl) oxan-2-one
 tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
 tetrahydro-6-pent-2-enyl pyran-2-one
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 dodecadiene-4-olide
(Z)-jasmone lactone
 tuberolactone
(odor and/or flavor) used in :
 apricot
 floral
 gardenia
 jasmin
 peach
 petal flower petal
 tuberose tubereuse
natural occurrence in :
not found in nature



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Html Last modified 07/14/2008