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

pseudo pelletierine
9-azabicyclo(3.3.1)nonan-3-one, 9-methyl-

Supplier Sponsors

Name:9-methyl-9-azabicyclo[3.3.1]nonan-3-one
CAS Number: 552-70-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-021-1
FDA UNII: USN3FV3Z9X
Nikkaji Web:J14.215H
Beilstein Number:1525218
MDL:MFCD00078161
XlogP3-AA:0.70 (est)
Molecular Weight:153.22475000
Formula:C9 H15 N O
BioActivity Summary:listing
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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 54.00 °C. @ 760.00 mm Hg
Boiling Point: 246.00 °C. @ 760.00 mm Hg
Flash Point: 205.00 °F. TCC ( 95.90 °C. ) (est)
logP (o/w): 0.630 (est)
Soluble in:
 water, 1.211e+005 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.
Pseudopelletierine
ExtraSynthese
For experimental / research use only.
Pseudopelletierine (GC) ≥90%
Santa Cruz Biotechnology
For experimental / research use only.
Pseudopelletierine
Sigma-Aldrich
For experimental / research use only.
Pseudopelletierine ≥98.0% (GC)
 
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:
subcutaneous-guinea pig LDLo 230 mg/kg
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.

subcutaneous-mouse LDLo 200 mg/kg
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for pseudo pelletierine usage levels up to:
 not for fragrance use.
 
Recommendation for pseudo pelletierine flavor usage levels up to:
 not for flavor use.
 
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 :11096
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Chemidplus:0000552705
RTECS:CL5593500 for cas# 552-70-5
 
References:
 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11096
Pubchem (sid):134978636
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C10865
HMDB (The Human Metabolome Database):HMDB34580
FooDB:FDB013093
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pomegranate bark
Search Trop Picture
 pomegranate root bark
Search Trop Picture
 pomegranate stem bark
Search Trop Picture
 
Synonyms:
9-azabicyclo(3.3.1)nonan-3-one, 9-methyl-
 granatan-3-one
3-granataninone, 9-methyl-
 granatonine
9-methyl-3-granatanone
9-methyl-9-azabicyclo[3.3.1]nonan-3-one
pseudo pelletierin
pseudo pelletrierin
pseudo punicine
 

Articles:

PubMed:13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides.
PubMed:Surface plasmon resonance based biosensors for exploring the influence of alkaloids on aggregation of amyloid-β peptide.
PubMed:Association constants of pyridine and piperidine alkaloids to amyloid beta peptide determined by electrochemical impedance spectroscopy.
PubMed:Dolasetron overdose resulting in prolonged QTc interval and severe hypotension: a case report and literature review.
PubMed:Dolasetron. A review of its pharmacology and therapeutic potential in the management of nausea and vomiting induced by chemotherapy, radiotherapy or surgery.
PubMed:Pulse radiolysis studies of the radiosensitizer Nor-pseudopelletierine-N-oxyl (NPPN). II. Reactions involving biological radicals.
PubMed:Pulse radiolysis studies of the radiosensitizer Nor-pseudopelletierine-N-oxyl (NPPN). I. Radiation chemistry.
PubMed:A synthesis of pseudopelletierine.
PubMed:Cyclic polyolefins; synthesis of cyclooctatetraene from pseudopelletierine.
PubMed:The synthesis of cycloöctatetraene from pseudopelletierine.
 
Notes:
Found in bark of pomegranate (Punica granatum)
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy