3-methyl pentacosane
 
Notes:
biosynthesized in cockroach periplaneta americana.
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CAS Number: 6902-54-1Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J1.604.755D
XlogP3-AA: 14.00 (est)
Molecular Weight: 366.71638000
Formula: C26 H54
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: natural substances and extractives
 
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
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 439.00 to  440.00 °C. @ 760.00 mm Hg (est)
Flash Point: 338.00 °F. TCC ( 170.00 °C. ) (est)
logP (o/w): 13.798 (est)
Soluble in:
 alcohol
 water, 1.048e-008 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
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: natural substances and extractives
Recommendation for 3-methyl pentacosane usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl pentacosane 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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 189001
National Institute of Allergy and Infectious Diseases: Data
 3-methylpentacosane
Chemidplus: 0006902541
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References:
 3-methylpentacosane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 189001
Pubchem (sid): 135166672
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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): HMDB38309
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 adenophora triphylla var. japonica
Search Trop  Picture
 witch hazel leaf oil @ 0.15%
Data  GC  Search Trop  Picture
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Synonyms:
3-methylpentacosane
 pentacosane, 3-methyl-
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Articles:
PubMed: [Study on volatile components from flowers of Gymnema sylvestre].
PubMed: Role of contact pheromones in mate recognition in Xylotrechus colonus.
PubMed: Synthesis of the enantiomers of some methyl-branched cuticular hydrocarbons of the ant, Diacamma sp..
PubMed: Metabolism of propionate to acetate in the cockroach Periplaneta americana.
PubMed: A 13C-NMR study of the biosynthesis of 3-methylpentacosane in the American cockroach.
PubMed: Diacylglycerol-carrying lipoprotein of hemolymph of the American cockroach: purification, characterization, and function.
PubMed: Biosynthesis of 3-methylpentacosane in the cockroach Periplaneta americana.
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