6-acetoxydihydrotheaspirane
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Notes :
Blends well with damascones.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3/t11-,14+,15+/m1/s1
InChIKey :LTAWGWRPOGXHBD-UGFHNGPFBB
SMILES :CC(=O)O[C@@]2(C)CCCC(C)(C)[C@]12CC[C@@H](C)O1
cas number :57893-27-3
(EINECS) number :261-005-3
fema number :3651
jecfa number :1647
fl. number :13.087
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 254.3651400 (IUPAC)
formula :C15 H26 O3
NMR Predictor :Predict
 
 
IUPAC name :[(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3/t11-,14-,15+/m1/s1
InChIKey :LTAWGWRPOGXHBD-DFBGVHRSBY
SMILES :CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
cas number :57967-72-3
(EINECS) number :261-048-8
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 254.3651400 (IUPAC)
formula :C15 H26 O3
NMR Predictor :Predict
 
 
IUPAC name :[(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3/t11-,14-,15-/m1/s1
InChIKey :LTAWGWRPOGXHBD-KCPJHIHWBC
SMILES :CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
cas number :57967-73-4
(EINECS) number :261-049-3
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 254.3651400 (IUPAC)
formula :C15 H26 O3
NMR Predictor :Predict
 
 
IUPAC name :[(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3/t11-,14+,15-/m1/s1
InChIKey :LTAWGWRPOGXHBD-BYCMXARLBM
SMILES :CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
cas number :57967-74-5
(EINECS) number :261-050-9
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 254.3651400 (IUPAC)
formula :C15 H26 O3
NMR Predictor :Predict
 
 
IUPAC name :(2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3
InChIKey :LTAWGWRPOGXHBD-UHFFFAOYAR
SMILES :CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
cas number :72541-09-4
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 254.3651400 (IUPAC)
formula :C15 H26 O3
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Nanjing :1-oxaspiro[4.5]decan-6-ol,2,6,10,10-tetramethyl-,acetate,(2R,5S,6S)-rel-
Penta :6-acetoxydihydrotheaspirane
organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		powerful citrus herbal green tea tangerine grapefruit mango passion fruit
properties :
appearence :white crystalline solid
assay : 90.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 50.00 to 53.00 °C. @ 760.00 mm Hg
boiling point : 309.00 to 310.00 °C. @ 760.00 mm Hg
flash point : 260.00  °F.  TCC  ( 126.67 °C. )
logP (o/w) : 3.80
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 :
 
recommendation for 6-acetoxydihydrotheaspirane usage levels up to :
  0.1000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 [2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
(EINECS) number :261-005-3
chemidplus :057893273
EPA Substance Registry Services :57893-27-3
 
 
 [(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
(EINECS) number :261-048-8
chemidplus :057967723
EPA Substance Registry Services :57967-72-3
 
 
 [(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
(EINECS) number :261-049-3
chemidplus :057967734
EPA Substance Registry Services :57967-73-4
 
 
 [(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
(EINECS) number :261-050-9
chemidplus :057967745
EPA Substance Registry Services :57967-74-5
 
 
 (2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate
chemidplus :057893273
EPA Substance Registry Services :72541-09-4
references :
 [2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
fl. number :13.087
jecfa number :1647
pubchem :670891
 [(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
pubchem :686137
 [(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
pubchem :686138
 [(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
pubchem :686139
 (2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate
pubchem :670891
other :
synonyms :
isospirene
2RS,5SR,6SR-2,6,10,10-tetramethyl-1-oxaspiro 4,5 dec-6-yl acetate
(2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-yl) acetate
(2alpha,5alpha(S*))-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
[(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 arnica flower oil
 basil oleoresin sweet
 benzyl anthranilate
(E)-alpha-bergamotene
 blood orange oil
isobutyl methyl anthranilate
 cadinadiene
 calamus rhizome oil
 cassis oxime 10%
 champaca absolute
 champaca flower oil
 clary sage absolute
 clary sage oil
(-)-cubenol
 curcuma amada roxb. rhizome oil india
 cyperus root oil
 dihydronootkatone
 dimethyl benzyl carbinyl propionate
2,4-dimethyl thiazole
2,4-dimethyl-3-cyclohexene-1-methanyl acetate
 dipentene
 dipentene terpene hydrocarbon byproducts
(E,E)-2,4-dodecadien-1-al
 ethyl ethyl anthranilate
 ethyl maltol
 farnesene
 galbanum oil
 galbanum oxathiane
 gardenia amide
 gardenia decalone
 gardenia pentyl acetate
 genet absolute
 geranyl formate
 grapefruit acetal
 grapefruit indene
 grapefruit menthane
 grapefruit nitrile
 grapefruit octenone
 grapefruit oil
 grapefruit oil c.p.
 grapefruit oil CO2 extract
 grapefruit oil terpeneless
 grapefruit pentanol
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 heptyl butyrate
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 jambu oleoresin
 magnolia indene
1-para-menthene-8-thiol
4-mercapto-4-methyl-2-pentanol
alpha-isomethyl ionone (90% min.)
 mikan peel oil
 myrmac aldehyde
 neryl acetate
 nootkatone
3-octyl acetate
 osmanthus absolute
 peony acetonitrile
 phenethyl isobutyrate
2-phenyl propyl isobutyrate
ketoisophorone
 rhubarb furan
 saffron pyranone
 tangerine acetate
 tangerine nitrile
 tangerine oil
 tangerine oil terpeneless
 tea acetate
alpha-terpinyl methyl ether
 tetrahydrolinalool
 tetrahydromyrcenyl acetate
 tridecanal
(E)-2-tridecen-1-al
2-tridecen-1-al
(±)-2,4,8-trimethyl-7-nonen-2-ol
 valencene
 verbena absolute france
(odor and/or flavor) used in :
 cassis black currant bud
 citrus
 grapefruit
 herbal
 mango
 passion fruit
 tangerine
 tea green tea
natural occurrence in :
not found in nature



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