rhubarb undecane
bonarox
 
Notes:
None found
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2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane] (Click)
CAS Number: 87641-24-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 289-330-6
Nikkaji Web: J334.008B
XlogP3-AA: 2.40 (est)
Molecular Weight: 182.26286000
Formula: C11 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.04900 @  25.00 °C.
Refractive Index: 1.48200 to 1.48400 @  20.00 °C.
Boiling Point: 67.00 to  70.00 °C. @ 1.70 mm Hg
Vapor Pressure: 0.113000 mm/Hg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 2.334 (est)
Soluble in:
 alcohol
 water, 63.47 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 fruity  green  rhubarb  celery  galbanum  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity green rhubarb celery galbanum
Luebke, William tgsc, (1985)
Substantivity: 48 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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Safety Information:
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50  500 mg/kg
Luebke, William tgsc, (1985)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for rhubarb undecane usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for rhubarb undecane flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 87641-24-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 163546
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane]
Chemidplus: 0087641245
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References:
 2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane]
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 87641-24-5
Pubchem (cid): 163546
Pubchem (sid): 135119469
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
amber
 amber oxepinFR
 ambroxanFL/FR
 angelica root oilFL/FR
 cistus ladaniferus resinoidFR
animal
isobutyl quinolineFR
 costus valerolactoneFR
anisic
 ambrette seed oilFL/FR
para-anisaldehydeFL/FR
balsamic
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobornyl acetateFL/FR
isobutyl benzoateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
 mastic gum resinFR
 methyl (E)-cinnamateFL/FR
 myrrh oilFL/FR
3-phenyl propyl alcoholFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
coconut
gamma-heptalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
earthy
 methyl undecylenateFL/FR
fatty
 coconut absoluteFL/FR
 decanolFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 citronellolFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 gardenia decaloneFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
para-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
 muguet carboxaldehydeFR
 nerolidolFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
fruity
 fruity cyclopentanoneFR
 raspberry ketoneFL/FR
 tropical iononeFL/FR
green
 diphenyl oxideFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
hay
 hay absoluteFR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 linalyl acetateFL/FR
 nopyl acetateFR
mossy
 veramoss (IFF)FR
naphthyl
beta-naphthyl ethyl etherFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 benzyl isoeugenolFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
4-ethyl guaiacolFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
 pimenta acris leaf oilFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
terpenic
 cypress leaf oilFR
alpha-terpineolFL/FR
thujonic
 armoise oilFR
 sage oil dalmatianFL/FR
 thuja occidentalis leaf oilFL/FR
tonka
 coumarinFR
gamma-hexalactoneFL/FR
 tonka bean absoluteFR
tropical
cis-galbanum oxathianeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillyl acetateFL/FR
waxy
1-dodecanolFL/FR
 ethyl laurateFL/FR
woody
 amber carbinolFR
 cedryl methyl etherFR
 cistus twig/leaf oilFL/FR
 frankincense resinoidFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 santallFR
 spruce needle oil canadaFL/FR
 tobacarol (IFF)FR
 vetiver oil haitiFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
 ambrette seed oilFL/FR
laevo-bornyl acetateFL/FR
 cistus twig/leaf oilFL/FR
 cyclamen aldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
laevo-linaloolFL/FR
 methyl (E)-cinnamateFL/FR
 methyl undecylenateFL/FR
 phenethyl salicylateFL/FR
 thuja occidentalis leaf oilFL/FR
aldehydic
 decanolFL/FR
aromatic
 benzyl isoeugenolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 myrrh oilFL/FR
berry
 heliotropyl acetoneFL/FR
citrus
 benzophenoneFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 linaloolFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
creamy
para-anisaldehydeFL/FR
gamma-hexalactoneFL/FR
para-methyl acetophenoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
fatty
 coconut absoluteFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
floral
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 diphenyl oxideFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
 tropical iononeFL/FR
fruity
para-anisyl alcoholFL/FR
isobutyl benzoateFL/FR
 heliotropinFL/FR
 raspberry ketoneFL/FR
 rose butanoateFL/FR
green
isoamyl salicylateFL/FR
 angelica root oilFL/FR
 cinnamyl alcoholFL/FR
cis-galbanum oxathianeFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxideFL/FR
 nerolidolFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 daucus carota fruit oilFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
lactonic
gamma-heptalactoneFL/FR
powdery
 acetophenoneFL/FR
beta-naphthyl ethyl etherFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
1-dodecanolFL/FR
spicy
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
3-phenyl propyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
thujonic
 sage oil dalmatianFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillyl acetateFL/FR
waxy
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
woody
 ambroxanFL/FR
 amyris wood oilFL/FR
isobornyl acetateFL/FR
4-ethyl guaiacolFL/FR
 frankincense resinoidFL/FR
 guaiacwood oilFL/FR
 patchouli oilFL/FR
 spruce needle oil canadaFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 amberFR
 angel 
 animalFR
 balsamFR
 cedarFR
 cloth clean cloths 
 diffusion 
 floralFR
 galbanumFL/FR
 greenFR
 herbalFR
 incenseFR
 leatherFR
 muskFR
 oakmoss mousse de chene mossFR
 orientalFR
 patchouliFR
 rainFR
 rhubarbFR
 sandalwoodFR
 vetiverFR
 woodyFR
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Natural Occurrence in: note
 not found in nature
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Synonyms:
 bonarox
2,4-dioxa-3-methyl-7,10-methanospiro-undecane
2,4-dioxa-3-methyl-7,10-methanospiro(5.5)undecane
2-methyl spiro(bicyclo(2.2.1)heptane-2,5'-(1,3) dioxane)
2'-methyl spiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane)
 methyl spirobicycloheptane dioxane
2'-methylspiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane)
2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane]
2'-methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]
 rhubarb undecane
 spiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane), 2'-methyl-
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