(R)-(+)-pulegone
 
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IUPAC name :5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI :InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKey :NZGWDASTMWDZIW-MRVPVSSYBS
SMILES :C[C@@H]1CCC(=C(C)C)C(=O)C1
(EINECS) number :201-943-2
cas number :89-82-7
fema number :2963
coe number :2050
jecfa number :753
molar refractivity :45.98 ± 0.3 cm3
parachor :384.2 ± 6.0 cm3
index of refraction :1.469 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.923 ± 0.06 g/cm3
polarizability :18.23 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
BioActivity Analysis :17388750
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
peppermint camphor fresh herbal buchu
taste description³ :at 20.00 ppm.  
Minty sulfuraceous, fruity blackcurrant and raspberry, with fresh green leafy nuances
substantivity :8  Hour(s)
properties : 
appearence :colorless clear oily liquid
assay : 85.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93700 @ 25.00 °C.
refractive index :1.48700 @ 20.00 °C.
boiling point : 220.00 - 222.00 °C. @ 760.00 mm Hg
boiling point : 132.00 - 133.00 °C. @ 50.00 mm Hg
logp : 3.08
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 180.00  °F.  TCC  ( 82.22 °C. )
  
recommendation for (R)-(+)-pulegone usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for (R)-(+)-pulegone usage levels up to :
  35.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :201-943-2
rtecs :OT0261000 for 89-82-7
chemidplus :89-82-7
epa-srs :89-82-7
  
other : 
 
references : 
pubchem :10537597
NIST Chemistry WebBook :1969959137
  
reference : Mosciano, Gerard P&F 16, No. 1, 31, (1991)³
synonyms :
(1R)-(+)-para-menth-4,8-en-3-one
(1R)-(+)-para-menth-4(8)-en-3-one
(R)-(+)-para-menth-4(8)-en-3-one
(R)-para-menth-4(8)-en-3-one
delta-4,8-para-menthen-3-one
(R)-5-methyl-2-(1-methyl ethylidene) cyclohexanone
(R)-1-methyl-4-isopropylidene-3-cyclohexanone
(R)-3-methyl-6-isopropylidene cyclohexanone
(R)-1-isopropylidene-4-methyl-2-cyclohexanone
(+)-pulegone
(+)-(R)-pulegone
(R)-pulegone
(R)-(+)-pulegone
delta-pulegone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 currant black currant
 grape
 herbal
 mint
 peach
 pennyroyal
 peppermint
 raspberry
 strawberry
 tropical
 woody
natural occurrence in :
data pageagathosma crenulata oil @ 53.75%
bergamot plant wild
data pagebuchu leaf oil @ 0.94%
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ 41.00%
data pagecornmint oil india @ 0.13%
data pagelemongrass oil morocco @ 0.90%
pennyroyal
data pagepennyroyal oil @ 86.70%
data pagepennyroyal oil cuba @ 25.14%
data pagepennyroyal oil uruguay @ 26.8-41.10%
data pagepeppermint oil america @ 1.38%
data pagepeppermint oil CO2 extract @ 0.30%
data pagepeppermint oil mongolia @ 0.22%
data pagepeppermint oil russia @ 0.99%
data pagerue oil cuba @ 0.10%
data pagesage oil cuba @ 0.86%
data pagesatureja viminea l. oil costa rica @ 35.30%
data pagethyme oil wild or creeping pakistan @ 0.21%



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