hydroxycitronellal diisotridecyl acetal
2-octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-
 
Notes:
None found
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CAS Number: 67923-85-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 267-789-3
XlogP3-AA: 14.10 (est)
Molecular Weight: 554.98338000
Formula: C36 H74 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 598.00 to  599.00 °C. @ 760.00 mm Hg (est)
Flash Point: 600.00 °F. TCC ( 315.80 °C. ) (est)
logP (o/w): 13.678 (est)
Soluble in:
 alcohol
 water, 8.573e-010 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: woody
 
 fresh  sweet  woody  lily  muguet  milky  
Odor Description:
at 100.00 %. 
fresh sweet woody hydroxycitronellal milky
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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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 hydroxycitronellal diisotridecyl acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 67923-85-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 106973
National Institute of Allergy and Infectious Diseases: Data
 2,6-dimethyl-8,8-bis(11-methyldodecoxy)octan-2-ol
Chemidplus: 0067923857
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References:
 2,6-dimethyl-8,8-bis(11-methyldodecoxy)octan-2-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 106973
Pubchem (sid): 135063424
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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: 2911.00.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
citrus
 benzyl anthranilateFR
 tetrahydromyrcenolFR
floral
 cumin carbinolFR
 cyclamen homoaldehydeFR
(E,E)-farnesolFL/FR
 floral specialtyFR
(Z)-4-hepten-2-yl salicylateFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal distillation residue distillatesFR
 hydroxycitronellal nitrileFR
 hydroxycitronellal propylene glycol acetalFL/FR
 hydroxycitronellal residueFR
calla lily fragranceFR
 lily of the valley specialtyFR
 linalyl benzoateFL/FR
 linden blossom fragranceFR
 linden blossom specialtyFR
 magnolia cyclohexanolFR
 magnolia decadienalFR
2-methyl octanalFL/FR
1-methyl-3-(2-methyl propyl) cyclohexanolFR
3-methyl-6-ethyl-5-octen-1-olFR
 muguet butanalFR
 muguet octadienolFR
 muguet specialtyFR
 octahydro-4,7-methano-1H-indene-5-acetaldehydeFR
green
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl hexyl acetateFR
herbal
 dimethyl benzyl carbinyl formateFL/FR
 
For Flavor
 
No flavor group found for these
 dimethyl benzyl carbinyl formateFL/FR
(E,E)-farnesolFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
2-methyl octanalFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
fruity
 linalyl benzoateFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
 
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Potential Uses:
 lily of the valleyFR
 milkFL
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2,6-dimethyl-8,8-bis(11-methyldodecoxy)octan-2-ol
 hydroxine 467 G
2-octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-
8,8-bis(isotridecyl oxy)-2,6-dimethyl octan-2-ol
8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol
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