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herbane
2,2-dimethyl-1,3-propane diol ketal methyl propyl ketone

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Name:2,5,5-trimethyl-2-propyl-1,3-dioxane
CAS Number: 5421-99-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-544-0
FDA UNII: FS4YB3D9MV
Nikkaji Web:J218.002B
XlogP3-AA:2.50 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 183.73 °C. @ 760.00 mm Hg (est)
Vapor Pressure:1.038000 mmHg @ 25.00 °C. (est)
Flash Point: 144.00 °F. TCC ( 62.40 °C. ) (est)
logP (o/w): 2.600 (est)
Soluble in:
 water, 49.28 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,5,5-Trimethyl-2-propyl-1,3-dioxane
 
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:
information only not used for fragrances or flavors
Recommendation for herbane usage levels up to:
 not for fragrance use.
 
Recommendation for herbane 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):5421-99-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :79462
National Institute of Allergy and Infectious Diseases:Data
2,5,5-trimethyl-2-propyl-1,3-dioxane
Chemidplus:0005421998
 
References:
 2,5,5-trimethyl-2-propyl-1,3-dioxane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):79462
Pubchem (sid):135039005
 
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
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,2-dimethyl-1,3-propane diol ketal methyl propyl ketone
2-propyl-4,4,6-trimethyl-1,3-dioxanel
2,5,5-trimethyl-2-propyl-1,3-dioxane
2,5,5-trimethyl-2-propyl-meta-dioxane
 
 
Notes:
None found
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