isopulegyl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
InChI :InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
InChIKey :HLHIVJRLODSUCI-UHFFFAOYAN
SMILES :CC1CCC(C(C1)OC(=O)C)C(=C)C
cas number :57576-09-7
(EINECS) number :260-820-1
fema number :2965
coe number :2067
jecfa number :756
fl. number :09.219
molar refractivity :56.89 ± 0.4 cm3
parachor :485.9 ± 6.0 cm3
index of refraction :1.458 ± 0.03
surface tension :29.5 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :22.55 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
InChI :InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1
InChIKey :HLHIVJRLODSUCI-ADEWGFFLBC
SMILES :C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C
cas number :57576-09-7  (RSR)
fema number :2965
molar refractivity :56.89 ± 0.4 cm3
parachor :485.9 ± 6.0 cm3
index of refraction :1.458 ± 0.03
surface tension :29.5 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :22.55 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
BioActivity Analysis :474128
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Citrus and Allied Essences :isopulegyl acetate
Penta :isopulegyl acetate
Vigon :Isopulegol Acetate
Odor:  SWEET, MINTY
organoleptics :
odor type :mentholic
odor strength :medium
odor description :¹
at 100.00 %.  		woody sweet peppermint tropical
odor sample from :Givaudan Corporation
substantivity :24  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92900 to 0.93600 @ 25.00 °C.
pounds per gallon - calc. : 7.730 to 7.788
refractive index :1.45400 to 1.45700 @ 20.00 °C.
boiling point : 104.00 to 105.00 °C. @ 10.00 mm Hg
boiling point : 112.00 to 114.00 °C. @ 8.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 186.00  °F.  TCC  ( 85.56 °C. )
logP (o/w) : 4.38
safety :
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
Structure Class :I
 
recommendation for isopulegyl acetate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for isopulegyl acetate usage levels up to :
  25.0000 ppm in the flavor.
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
(EINECS) number :260-820-1
chemidplus :057576097
EPA Substance Registry Services :57576-09-7
 [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
references :
 (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
fl. number :09.219
jecfa number :756
NIST Chemistry WebBook :2899267442
pubchem :10527970
 [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
pubchem :671690
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-menth-8-en-3-yl acetate
(1R,2S,5R)-5-methyl-2-(1-methyl ethenyl) cyclohexanol acetate
(1theta- (1alpha,2beta,5alpha))-5-methyl-2-(1-methyl ethenyl) cyclohexanol acetate
(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl cyclohexyl acetate
(5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
1-methyl-4-isopropenyl cyclohexan-3-yl acetate
isopulegol acetate
soluble in :
 alcohol
 water. slightly
insoluble in :
 water
(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 borneol
laevo-borneol
isobornyl methyl ether
isobornyl propionate
 buchu leaf oil
isobutyl angelate
2-tert-butyl cyclohexanone
 carvacrol
 cedarleaf oil terpeneless
 cornmint oil terpeneless
beta-homocyclocitral
 herbal dioxane
 hinoki root oil
 lavandin concrete
dextro,laevo-menthol
laevo-menthol
laevo-menthone
 menthyl isovalerate
 methyl cyclogeranate
 ocimene quintoxide
 origanum oil
 origanum oil turkey
 pennyroyal oil
 peppermint cyclohexanone
 peppermint oil
 peppermint oil terpeneless america
 pinocarveol
dextro-piperitone
 pulegone
isopulegone
 rosemary absolute
 rosemary oil
 rosemary oil morocco
(odor and/or flavor) used in :
 berry
 green
 lavender
 mint
 peppermint
 raspberry
 rose
 spearmint
natural occurrence in :
data pagemayur pankh fruit oil himalaya @ 0.10%
pennyroyal
data pagewormseed oil spain @ 0.08%



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