woody carboxylate
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Notes :
Has vary good blending power.
 
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IUPAC name :4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate
InChI :InChI=1/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKey :NXAJZPARDMDLKH-UHFFFAOYAP
SMILES :CC(C)C12CCC(C=C1)(C(C2)C(=O)OC)C
cas number :68966-86-9
(EINECS) number :273-453-7
molar refractivity :63.87 ± 0.3 cm3
parachor :533.3 ± 6.0 cm3
index of refraction :1.504 ± 0.02
surface tension :37.5 ± 3.0 dyne/cm
density :1.031 ± 0.06 g/cm3
polarizability :25.32 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 222.3232800 (IUPAC)
formula :C14 H22 O2
NMR Predictor :Predict
 

 
IUPAC name :methyl 4-isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate
InChI :InChI=1/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKey :NXAJZPARDMDLKH-UHFFFAOYAP
SMILES :O=C(OC)[C@@H]1[C@@]2(C=C[C@@](CC2)(C(C)C)C1)C
cas number :67392-15-8
(EINECS) number :266-678-7
molar refractivity :63.87 ± 0.3 cm3
parachor :533.3 ± 6.0 cm3
index of refraction :1.504 ± 0.02
surface tension :37.5 ± 3.0 dyne/cm
density :1.031 ± 0.06 g/cm3
polarizability :25.32 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 222.3232800 (IUPAC)
formula :C14 H22 O2
NMR Predictor :Predict
 

 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :mahagonate
Symrise :Mahagonat®
Vigon :Mahagonate

organoleptics :
odor type :woody
odor strength :medium
odor description¹ :
at 100.00 %.  
woody dry clean mahogany dank sawdust
odor sample from :Dragoco Inc.
substantivity :73 hour(s) at 100.00 %

properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.99500 to 1.00000 @ 25.00 °C.
pounds per gallon - calc. : 8.279 to 8.321
refractive index :1.47700 to 1.48600 @ 20.00 °C.
boiling point : 261.00 to 262.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.14
shelf life : 36.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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

safety in use :
Category :fragrance agents
 
recommendation for woody carboxylate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for woody carboxylate flavor usage levels up to :
 not for flavor use.

safety references :
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate
(EINECS) number :273-453-7
chemidplus :068966869
EPA Substance Registry Services :68966-86-9
 
 
 
methyl 4-isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate
(EINECS) number :266-678-7
chemidplus :067392158
EPA Substance Registry Services :67392-15-8

references :
 
4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate
pubchem :688765
 
methyl 4-isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate
pubchem :683936

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
 C of A
synonyms :
 arboroma
5(6)-carbomethoxy-1-methyl-4-isopropyl bicyclo(2.2.2)oct-2-ene
 mahagonate
 methyl 1-methyl-4-isopropyl bicyclo(2.2.2)oct-5-ene carboxylate
 methyl 1-methyl-4-propan-2-yl bicyclo(2.2.2)oct-2-ene-7-carboxylate
 methyl 4(or 1)-isopropyl-1(or 4)-methyl bicyclo(2.2.2)oct-5-ene-2-carboxylate
 methyl isopropyl methyl bicyclooctene-2-carboxylate
4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate
 woody carboxylate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 allspice oilFL/FR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 amber carbinolFR
 amber formateFR
 amber naphthofuranFL/FR
 amber oxepinFR
 amber pentadecaneFR
 amber spiroleneFR
 ambrette seed absoluteFL/FR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
1-benzoyl acetoneFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bitter orange oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 bornyl valerateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 cabreuva oilFR
alpha-cadinene 
delta-cadinene 
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 caryophyllene alcoholFL/FR
beta-caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cassia bark oilFL/FR
 castoreum absoluteFL/FR
 cedarwood absolute atlasFR
 cedarwood oil atlasFR
 cedarwood oil epoxidizedFR
 cedarwood oilsFR
 cedrela wood oilFR
 cedrenyl acetateFR
 cedrol methyl etherFR
 cedryl acetateFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
para-cresyl caprylateFL/FR
 cuminaldehydeFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 davana oilFL/FR
2-decalinyl formateFR
 decanolFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dehydro beta-linaloolFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl hydroquinoneFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fenchyl alcoholFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 floral undecenoneFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia decaloneFR
 gardenia oxideFR
 geraniolFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 guaieneFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
 herbal careneFR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 hinoki root oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 ionones 
 labdanum concreteFR
 labdanum ethanoneFR
 labdanum gumFR
 labdanum leaf oilFR
 labdanum oilFL/FR
 labdanum resinoidFR
 lavandin water absoluteFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
isolongifolene epoxideFR
isolongifolene ketoneFR
 marine pyridineFR
 mcp acetate 
para-menth-3-en-1-olFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl acetophenoneFL/FR
para-methyl anisoleFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl cyclocitroneFR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 methyl vetivateFR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musk dodecaneFR
 musks 
 nerolFL/FR
 nerolidolFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 oakmoss absoluteFL/FR
 oakmoss oilFR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 orange oilFL/FR
 orange oil bitterFL/FR
 orange peel oil bitter italyFL/FR
 orris pyridineFR
 patchouli oilFL/FR
 peony alcoholFR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 quinolines 
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 sage oilFL/FR
 sandalwood oil west australiaFR
 santallFR
 seaweed absoluteFL/FR
 spruce oilFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 timber propanolFR
 tobacco dodecaneFR
 tobacco noneneFR
 tonka bean absoluteFR
 treemoss absoluteFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody epoxideFR
 woody etherFR
 woody propanolFR

potential uses :
 amber
 ambergris
 ambreine
 angelica
 cabreuva
 christmas blends
 cistus
 clean
 dogwood
 floral
 herbal
 hinoki
 labdanum
 orange bitter orange
 oriental
 patchouli
 sandalwood
 spice
 woody

natural occurrence in :    note
 not found in nature  



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