methyl cyclogeranate
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Notes :
Blends well with damascones. Gives good body.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
InChI :InChI=1/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h6,9H,5,7H2,1-4H3
InChIKey :NVAGRWXDIIKUBU-UHFFFAOYAH
SMILES :CC1=CCCC(C1C(=O)OC)(C)C
cas number :28043-10-9
(EINECS) number :248-792-9
molar refractivity :52.25 ± 0.3 cm3
parachor :444.6 ± 6.0 cm3
index of refraction :1.451 ± 0.02
surface tension :27.7 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :20.71 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 182.2594200 (IUPAC)
formula :C11 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Vigon :Methyl Cyclogeranate
Odor:  HERBAL, FLORAL, FRUITY
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		natural herbal floral fruity woody camphor
Luebke, William tgsc, (1985)
odor sample from :Firmenich & Company Inc.
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95790 to 0.96820 @ 25.00 °C.
pounds per gallon - calc. : 7.971 to 8.056
refractive index :1.49100 to 1.49900 @ 20.00 °C.
boiling point : 212.00 to 214.00 °C. @ 760.00 mm Hg
vapor density :6.3 ( Air = 1 )
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : 3.52
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    4150.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >2000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for methyl cyclogeranate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for methyl cyclogeranate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
(EINECS) number :248-792-9
chemidplus :028043109
EPA Substance Registry Services :28043-10-9
references :
 
methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
NIST Chemistry WebBook :28043109
pubchem :696505
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
2-cyclohexene-1-carboxylic acid 2,6,6,-trimethyl methyl ester
 methyl 2,6,6-trimethyl cyclohex-2-ene-1-carboxylate
 methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
 methyl cyclogeranate
 methyl 2,6,6-trimethyl cyclohex-2-ene carboxylate
Similar Products:    note
isoamyl geranate
 ethyl geranate
(E)-methyl geranate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetal 318FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 bergamot oil bergaptene freeFL/FR
 berry hexanoateFR
beta-bisabololFL/FR
isobutyl benzyl carbinolFL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
isobutyl furyl propionateFL/FR
 butyl levulinateFL/FR
 butyl tiglateFL/FR
 butyl undecylenateFL/FR
 cananga fruit oilFR
 carnation absoluteFR
 carrot seed oil spainFR
 chamomile isobutyrateFR
 chamomile valerateFR
 chrysanthemum ketoneFR
 clary propyl acetateFR
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 cuminyl acetateFL/FR
2-decalinyl acetateFR
8,9-dehydrotheaspironeFL
 diethyl malateFL
2,4-difurfuryl furanFL
2',4'-dimethyl acetophenoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 dimethyl salicylateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 eriocephalus punctulatus oil 
 ethyl linaloolFR
 ethyl linalyl acetalFR
 floral pyranolFR
 freesia heptanolFL/FR
 galbanum oxathianeFL/FR
 geraniolFL/FR
 geranyl tiglateFL/FR
2-heptanolFL/FR
 heptyl formateFL/FR
 herbal pyranFR
(E)-2-hexenoic acidFL
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
beta-ionolFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lavender concreteFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lepidineFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL
3-mercaptohexyl acetateFL
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-beta-methyl iononeFL/FR
iso-alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ionone gamma supremeFL/FR
 muguet shiseolFL/FR
 myrcenyl acetateFL/FR
 myrtle oilFL/FR
(Z)-beta-ocimeneFL/FR
3-octanon-1-olFL/FR
 orangeflower concrete moroccoFR
 orris absoluteFL/FR
 orris capronateFL/FR
 petitgrain cedrat oilFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 rhubarb pyranFR
 rose carboxylateFR
 sandal octanolFR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 tricyclodecenyl propionateFR
 tropical iononeFL/FR
 vetiver pentanoneFR
potential uses :
 basil
 chamomile
 chypre
 flower
 fruit
 green
 herbal
 rosemary
 woody
natural occurrence in :    note
 not found in nature  

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