tagette carboxylate
organoleptics  properties  safety  references  cosmetics    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :methyl 1-methylcyclohex-3-ene-1-carboxylate
InChI :InChI=1/C9H14O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-4H,5-7H2,1-2H3
InChIKey :GLCJULYDLTXOEN-UHFFFAOYAD
SMILES :CC1(CCC=CC1)C(=O)OC
cas number :6493-80-7
(EINECS) number :229-377-1
molar refractivity :42.83 ± 0.3 cm3
parachor :370.2 ± 6.0 cm3
index of refraction :1.462 ± 0.02
surface tension :31.9 ± 3.0 dyne/cm
density :0.989 ± 0.06 g/cm3
polarizability :16.98 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 154.2062600
formula :C9 H14 O2
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
tagette chrysanthemum thujone natural sweet herbal
odor sample from :Naarden International
substantivity :4  Hour(s)

properties :
appearence :yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99700 @ 20.00 °C.
boiling point : 50.00 °C. @ 5.00 mm Hg
flash point : 145.00  °F.  TCC  ( 62.78 °C. )
logP (o/w) : 2.42

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for tagette carboxylate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for tagette carboxylate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 methyl 1-methylcyclohex-3-ene-1-carboxylate
(EINECS) number :229-377-1
chemidplus :006493807
EPA Substance Registry Services :6493-80-7

references :
 methyl 1-methylcyclohex-3-ene-1-carboxylate
pubchem :688127

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
synonyms :
 methyl 1-methyl cyclohex-3-ene-1-carboxylate
 methyl 1-methyl-3-cyclohexene carboxylate
 methyl 1-methylcyclohex-3-ene-1-carboxylate
 methyl methyl cyclohexene carboxylate
1-methyl-3-cyclohexene-1-carboxylic acid methyl ester
 tachrysate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde dipropyl acetal
 armoise oil
isobutyl heptanoate
isobutyl methyl ketone
2-sec-butyl thiazole
4-butyl thiazole
 cedarleaf oil
 cedarleaf oil terpeneless
 cedarleaf oil western red
 cedarwood oil lebanon
 chamomile octenone
 chrysanthemum carbaldehyde
 chrysanthemum oxide
 cinnamyl formate
 cinnamyl phenyl acetate
 cistus cyclohexanone
 cuminaldehyde
neocyclocitral
 damascone carboxylate
isodecyl acetate
 dihydrorose oxide
 dimethyl benzyl carbinyl butyrate
 estragole
 ethyl 4-pentenoate
 ethyl chrysanthemate
dextro-fenchone
 fig leaf absolute
 geranium oil africa
 geranium oil egypt
 green dioxolane
 heptanal
 herbal cyclohexane
 herbal dioxane
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
 ivy leaf absolute
 juniper carboxaldehyde
 linalyl formate
(E)-6-methyl-3-hepten-2-one
6-methyl-3-hepten-2-one
 nonisyl formate
(E)-2-octen-1-al
3-octen-1-yl acetate
 origanum oil
 origanum oil turkey
 parsley leaf oil egypt
2-pentyl cyclopentanone
 perillaldehyde
2-propyl thiazole
isopulegol
 rose pyran
 sage oil
 sage oil england
 sage oil france
 sage oil germany
 sage oil hydrodistillation france
 sage oil reunion
 sage oil sardinia
 sage oil spain
 sage oleoresin
 seaweed absolute
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tansy leaf oil dutch
alpha-thujene
alpha-thujone
beta-thujone
 timber dioxolane
 tobacco nonene
 tropical indene
 violet methyl carbonate
 viridiflorol
 woody ketone

(odor and/or flavor) used in :
 cedarleaf
 chrysanthemum chrysantheme
 green
 herbal
 immortelle helichrysum everlasting
 marigold tagete
 natural
 woody

natural occurrence in :
not found in nature



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