(R)-(+)-pulegone
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IUPAC name :(5R)-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
cas number :89-82-7
(EINECS) number :201-943-2
beilstein number :2040703
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 (IUPAC)
formula :C10 H16 O
BioActivity Analysis :17388750
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Fleurchem :pulegone
natural
Mane :pulegone
(ex Pennyroyal)
Nippon Terpene :d-Pulegone
98% up
Penta :d-pulegone
Penta :d-pulegone
natural
Sigma-Aldrich-SAFC :(R)-(+)-Pulegone
≥85%
Odor:  cinnamon; lime; herbaceous; minty; fruity; vanilla; spicy
Vigon :Pulegone Dextro
Natural ex Pennyroyal Oil
organoleptics :
odor type :minty
odor strength :medium
odor description :¹
at 100.00 %.  		peppermint camphor fresh herbal buchu
odor sample from :Givaudan Corporation
substantivity :8  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 85.00 to 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 to 222.00 °C. @ 760.00 mm Hg
boiling point : 132.00 to 133.00 °C. @ 50.00 mm Hg
vapor pressure :138.00000 mm/Hg @ 25.00 °C.
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 3.08
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    470.00  mg/kg

Intraperitoneal-Mouse    150.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  3090.00  mg/kg

Subcutaneous-Mouse  1709.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
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 references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
(EINECS) number :201-943-2
RTECS :OT0261000 for 89-82-7
chemidplus :000089827
EPA Substance Registry Services :89-82-7
references :
 (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
jecfa number :753
NIST Chemistry WebBook :1969959137
pubchem :10537597
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
(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
delta-pulegone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 bergamot acetoacetate
 buchu mercaptan
 buchu oxime
 cornmint oil terpeneless
 diosphenol
 mango thiol
dextro,laevo-menthol
laevo-menthol
laevo-menthone
 passiflora acetate
 pennyroyal oil
 peppermint cyclohexanone
 peppermint oil
 peppermint oil terpeneless america
dextro-piperitone
 potato butyraldehyde
 pulegone
isopulegone
isopulegyl acetate
 thiogeraniol
(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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