EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

thyme undecane
thymoxane

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Name:3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
CAS Number: 707-29-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-898-0
FDA UNII: FR188I264H
Nikkaji Web:J99.453G
XlogP3-AA:2.60 (est)
Molecular Weight:184.27880000
Formula:C11 H20 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98100 to 0.98400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.172 to 8.197
Refractive Index:1.46100 to 1.46400 @ 20.00 °C.
Boiling Point: 213.00 to 214.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.228000 mmHg @ 25.00 °C. (est)
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): 2.644 (est)
Soluble in:
 alcohol
 water, 20.47 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 antiperspirant
 bleach
 detergent
 soap
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity:16 hour(s) at 100.00 %
fresh thyme herbal leathery tobacco animal sweet
Odor Description:at 10.00 % in dipropylene glycol. fresh thyme herbal leather tobacco animal sweet
Luebke, William tgsc, (1985)
Odor sample from: Bush Boake Allen Inc
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Taytonn ASCC
Thymoxane
Odor: Fresh, Leather/ Leathery, Sweet, Thyme
The John D. Walsh Company
Thymoxane
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for thyme undecane usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for thyme undecane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):707-29-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69721
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
Chemidplus:0000707299
 
References:
 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:707-29-9
Pubchem (cid):69721
Pubchem (sid):135026910
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
Export Tariff Code:2932.99.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
balsamic
amyl phenyl acetate
FL/FR
green
yerba mate leaf oil
FL/FR
herbal
ajowan seed oil CO2 extract
FL/FR
lavender absolute bulgaria
FL/FR
saffron indenone
FL/FR
green
tea leaf absolute
FL/FR
orris
2(1)-
orris butanal
FL/FR
phenolic
ortho-
cresol
FR
2,3-
dimethyl benzofuran
FL/FR
spicy
carvacrol
FL/FR
cuminyl alcohol
FL/FR
thujonic
armoise oil
FR
sage oil dalmatian
FL/FR
tobacco
para-
cresyl isovalerate
FL/FR
woody
patchouli oil
FL/FR
For Flavor
No flavor group found for these
ajowan seed oil CO2 extract
FL/FR
amyl phenyl acetate
FL/FR
2(1)-
orris butanal
FL/FR
yerba mate leaf oil
FL/FR
chemical
chemical
2,3-
dimethyl benzofuran
FL/FR
herbal
lavender absolute bulgaria
FL/FR
saffron indenone
FL/FR
phenolic
para-
cresyl isovalerate
FL/FR
spicy
carvacrol
FL/FR
cuminyl alcohol
FL/FR
tea
green
tea leaf absolute
FL/FR
thujonic
sage oil dalmatian
FL/FR
woody
patchouli oil
FL/FR
 
Potential Uses:
FRaldehydic
FRcitrus
FRfresh and clean
FRherbal
FRleather
 lifter
FRpatchouli
FRsage
FRthyme oil white replacer
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclohexanone 2,2-dimethylpropylene acetal
 cyclohexanone, 2,2-dimethyl-1,3-propandiol ketal
 cyclohexanone, 2,2-dimethyl-1,3-propanediol ketal
3,3-dimethyl-1,5-dioxaspiro(5.5)undecane
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
3,3-dimethyl-1,5-dioxaspiroundecane
1,5-dioxaspiro(5.5)undecane, 3,3-dimethyl-
1,5-dioxaspiro[5.5]undecane, 3,3-dimethyl-
 thyme undecane
 thymoxane
 
 
Notes:
Blends well with green and minty notes. Gives depth and diffusion to aldehydic, floral, chypre and leather. Adds freshness to agrumen and citrus notes.
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