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

preisocalamendiol
5-cyclodecen-1-one, 5-methyl-9-methylene-2-(1-methylethyl)-, (2S,5Z)-

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CAS Number: 25645-19-6Picture of molecule3D/inchi
Nikkaji Web:J17.297I
XlogP3-AA:3.40 (est)
Molecular Weight:220.35548000
Formula:C15 H24 O
NMR Predictor:Predict (works with chrome 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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 315.00 °C. @ 760.00 mm Hg (est)
Flash Point: 266.00 °F. TCC ( 129.90 °C. ) (est)
logP (o/w): 4.940 (est)
Soluble in:
 water, 1.344 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.
preisoCalamendiol
Coompo
For experimental / research use only.
preisoCalamendiol from Plants ≥96%
 
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: natural substances and extractives
Recommendation for preisocalamendiol usage levels up to:
 not for fragrance use.
 
Recommendation for preisocalamendiol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12305705
National Institute of Allergy and Infectious Diseases:Data
(2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one
Chemidplus:0025645196
 
References:
 (2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12305705
Pubchem (sid):135293337
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
HMDB (The Human Metabolome Database):HMDB35391
FooDB:FDB014066
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 acorus calamus root oil @ 0.91%
Data GC Search Trop Picture
 acorus calamus root oil mongolia @ 12.10%
Data GC Search Trop Picture
 calamus
Search Trop Picture
 daucus carota ssp. maximus (desf.) ball seed oil @ 0.39%
Data GC Search Trop Picture
 daucus carota ssp. maximus leaf oil @ 17.95%
Data GC Search Trop Picture
 
Synonyms:
5-cyclodecen-1-one, 5-methyl-9-methylene-2-(1-methylethyl)-, (2S,5Z)-
(2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one
 
 
Notes:
Constit. of Acorus calamus (sweet flag)
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