isopulegol
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IUPAC name :5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
InChI :InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
InChIKey :ZYTMANIQRDEHIO-UHFFFAOYAV
SMILES :CC1CCC(C(C1)O)C(=C)C
cas number :89-79-2
(EINECS) number :201-940-6
beilstein number :1906573
fema number :2962
coe number :2033
jecfa number :755
fl. number :02.067
molar refractivity :47.34 ± 0.3 cm3
parachor :397.2 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.5 ± 3.0 dyne/cm
density :0.912 ± 0.06 g/cm3
polarizability :18.76 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
BioActivity Analysis :132861
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Berje :isoPulegol
Citrus and Allied Essences :isopulegol extra
FCC
Penta :isopulegol
Sigma-Aldrich-SAFC :(-)-Isopulegol
≥99%
Odor:  minty
Symrise :Isopulegol
Vigon :Isopulegol Purified
Odor:  RATHER HARSH, CAMPHORACEOUS AND MINTY ODOR, WITH A ROSELEAF AND GERANIUM BACKGROUND.
organoleptics :
odor type :mentholic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		minty cooling medicinal woody green grassy herbal
odor sample from :Givaudan Corporation
substantivity :28  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.90400 to 0.91300 @ 25.00 °C.
pounds per gallon - calc. : 7.522 to 7.597
refractive index :1.46800 to 1.47700 @ 20.00 °C.
boiling point : 216.00 to 218.00 °C. @ 760.00 mm Hg
boiling point : 91.00 °C. @ 12.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 3.37
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 : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    1030.00  ul/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  3.00  ml/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :7.00 (μg/capita/day)
Structure Class :I
 
recommendation for isopulegol usage levels up to :
  6.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 3. Update in publication number(s) : 22
 average usual ppmaverage maximum ppm
baked goods : 14.0000019.00000
beverages(nonalcoholic) : 50.00000200.00000
beverages(alcoholic) : 50.00000200.00000
breakfast cereal : --
cheese : --
chewing gum : 500.000001000.00000
condiments / relishes : --
confectionery froastings : 100.00000500.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 12.0000015.00000
fruit ices : --
gelatins / puddings : 50.00000200.00000
granulated sugar : --
gravies : --
hard candy : 100.00000500.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 100.00000500.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
(EINECS) number :201-940-6
chemidplus :000089792
EPA Substance Registry Services :89-79-2
dtp/nci :231369
references :
 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
fl. number :02.067
jecfa number :755
NIST Chemistry WebBook :1123555387
pubchem :203617
Cosmetics :
Cosmetic uses : masking agents
other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1R,3R,4S)-para-menth-8-en-3-ol
para-menth-8-en-3-ol
para-8,9-menthen-3-ol
para-8(9)-menthen-3-ol
(1R-(1alpha,2beta,5alpha))-5-methyl-2-(1-methyl ethenyl) cyclohexanol
(1R,2S,5R)-5-methyl-2-(1-methyl ethenyl) cyclohexanol
5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
1-methyl-4-isopropenyl cyclohexan-3-ol
 phellandral
(R,2S,5R)-2-isopropenyl-5-methyl cyclohexanol
(-)-isopulegol
(-)-laevo-isopulegol
laevo-isopulegol
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 :
 apricot
 caramel
 cherry
 citronella
 eucalyptus
 geranium
 herbal
 lemongrass
 mandarin
 mint
 oral care agents
 peach
 pennyroyal
 peppermint
 plum
 raspberry
 rose leaf
 spearmint
 tuberose tubereuse
natural occurrence in :
data pageangelica seed oil CO2 extract @ 1.40%
data pagebergamot oil @ 0.000-0.004%
data pagecascarilla bark oil @ 0.05%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 3.80%
eucalyptus citriadora
data pageeucalyptus citriodora oil @ 3.41%
data pageeucalyptus globulus oil pakistan @ 0.20%
geranium
data pagegrapefruit oil c.p. @ 0.05%
data pagegrapefruit oil c.p. @ 0.06%
data pagegrapefruit oil c.p. italy @ 0.04%
data pagelaurel leaf oil turkey @ 0.10%
data pagelemon verbena oil morocco @ 0.7%
lemongrass
data pagelemongrass oil @ 0.26%
data pagelemongrass oil @ 1.23%
data pagelemongrass oil morocco @ 0.30%
data pagelime oil distilled peru @ 0.08%
mandarin
data pagemandarin oil italy @ trace%
mint
data pagepennyroyal oil @ trace%
data pagepetitgrain combava oil @ 0.32%
data pagepetitgrain grapefruit oil @ 0.60%
data pagepetitgrain lime oil @ 0.10%
data pagepetitgrain sweet oil @ 0.51%
data pagepteronia oil @ 0.10%
rum
data pagesage oil england @ 0.10%
data pagewormseed oil spain @ 3.54%



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