rose carboxylate
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Notes :
Blends well with aldehydes and damascones. Damascone substitute.
 
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IUPAC name :ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
InChI :InChI=1/C13H22O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h8,11H,5-7,9H2,1-4H3
InChIKey :CQHUPYQUERYPML-UHFFFAOYAY
SMILES :CCC1=CCCC(C1C(=O)OCC)(C)C
cas number :57934-97-1
(EINECS) number :261-020-5
molar refractivity :61.50 ± 0.3 cm3
parachor :524.8 ± 6.0 cm3
index of refraction :1.452 ± 0.02
surface tension :28.1 ± 3.0 dyne/cm
density :0.923 ± 0.06 g/cm3
polarizability :24.38 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
InChI :InChI=1/C13H22O2/c1-6-15-12(14)11-10(3)9(2)7-8-13(11,4)5/h11H,6-8H2,1-5H3
InChIKey :GUAPMIRFNRZYFI-UHFFFAOYAI
SMILES :CCOC(=O)C1C(=C(CCC1(C)C)C)C
cas number :77851-07-1
(EINECS) number :278-776-7
molar refractivity :61.58 ± 0.3 cm3
parachor :521.0 ± 6.0 cm3
index of refraction :1.452 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :24.41 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Givescone®
Odor:  Rosy, Spicy, Fruity, Woody
Givescone is used where real innovation is required. It has a complex odour picture, with floral, spicy, fruity, woody and even herbaceous nuances. It blends particularly well with rose, carnation, aldehydes, chypre and fougère, and with aromatic and spicy notes.
Penta :givescone
Vigon :Givescone
Odor:  ROSY, SPICY, FRUITY, WOODY
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		rose oxide warm spicy fruity berry damascone
Luebke, William tgsc, (1995)
odor sample from :Givaudan Corporation
substantivity :20  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94000 to 0.94500 @ 25.00 °C.
pounds per gallon - calc. : 7.822 to 7.863
refractive index :1.46000 to 1.46400 @ 20.00 °C.
boiling point : 102.00 to 103.00 °C. @ 11.00 mm Hg
vapor pressure :0.06400 mm/Hg @ 20.00 °C.
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 4.90
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for rose carboxylate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for rose carboxylate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
(EINECS) number :261-020-5
chemidplus :057934971
EPA Substance Registry Services :57934-97-1
 
 
 
ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
(EINECS) number :278-776-7
chemidplus :077851071
EPA Substance Registry Services :77851-07-1
references :
 
ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
pubchem :670900
 
ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
pubchem :743888
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 ethyl 2-ethyl-6-dimethyl-2-cyclohexene carboxylate
 ethyl 2-ethyl-6,6-dimethyl-2-cyclohexene carboxylate
 ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
 ethyl 2,3,6,6-tetramethyl-2-cyclohexene carboxylate
 ethyl ethyl dimethyl cyclohexene-1-carboxylate
2-ethyl-6,6-dimethyl-2-cyclohexene-1-carboxylic acid ethyl ester
 givescone
 rose carboxylate
soluble in :
 alcohol
 water, 34 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 anise indeneFR
para-anisyl methyl ketoneFL/FR
 benzyl formateFL/FR
 benzyl methyl tiglateFL
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 butyl angelateFL/FR
 butyl hexanoateFL/FR
 butyl phenyl acetateFL/FR
 cadinadiene 
 cedryl acetateFL/FR
 cinnamyl propionateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 clove bud oilFL/FR
para-cresyl phenyl acetateFL/FR
 cyclohexyl phenyl acetateFR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydroactinidolideFL
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl cinnamateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl phenyl acetateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fir carboxylateFR
 furfuryl isovalerateFL
 genet concreteFR
 geranium oilFL/FR
 geranium rose-scented oil (pelargonium spp.) cubaFR
 geranyl phenyl acetateFL/FR
 green acetateFR
 heliotropyl isobutyrateFL/FR
2-heptanoneFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl 3-mercaptobutanoateFL
 hexyl pivalateFR
2-hexylidene cyclopentanoneFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 ionones 
 lavender absoluteFL/FR
 linalool oxide acetatesFL/FR
 linalyl phenyl acetateFL/FR
 maltyl isobutyrateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl cyclogeranateFR
 methyl furfuryl disulfideFL
 methyl ionones 
 myrtenyl isobutyrate 
 nerolin fragarolFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
 nonisyl acetateFR
 octanal diethyl acetalFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 octyl isovalerateFL/FR
 osmanthus absoluteFL/FR
 patchouli oilFL/FR
 petitgrain lemon oilFL/FR
beta-sesquiphellandrene 
 phenethyl acetateFL/FR
 phenethyl furoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl pivalateFL/FR
isopropenyl acetateFL/FR
 propyl 2-furan acrylateFL/FR
 propyl formateFL/FR
 rhodinyl acetateFL/FR
 rhodinyl isobutyrateFL/FR
 rose absolute moroccoFL/FR
 rose concrete bulgariaFR
 rose oil moroccoFL/FR
(Z)-rose oxideFL/FR
 sandalwood oilFL/FR
 styralyl butyrateFL/FR
 thiogeraniolFL/FR
 tolu balsam oilFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
 violet decenolFR
 waxy acetateFR
 woody acetateFR
potential uses :
 apple
 carnation dianthus oeillet
 fern fougere
 floral
 herbal
 honey miel
 rose
 rose tea rose
 spice
natural occurrence in :    note
 not found in nature  

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