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

3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl cyclohexan-1-one

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CAS Number: 21698-44-2Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:4.90 (est)
Molecular Weight:220.35548000
Formula:C15 H24 O
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
Physical Properties:
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 289.00 to 291.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 241.00 °F. TCC ( 116.11 °C. )
logP (o/w): 4.578 (est)
Soluble in:
 water, 1.849 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
For experimental / research use only.
Shyobunone 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
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:
natural substances and extractives
Recommendation for shyobunone usage levels up to:
 not for fragrance use.
Recommendation for shyobunone 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 :591309
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):591309
Pubchem (sid):43152198
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):HMDB35306
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 calamus leaf oil @ 3.19%
Data GC Search Trop Picture
 calamus rhizome oil @ 5.03%
Data GC Search Trop Picture
 calamus root oil mongolia @ 0.50%
Data GC Search Trop Picture
 carrot leaf oil (daucus carota ssp.maximus) @ 16.84%
Data GC Search Trop Picture
 carrot seed oil (daucus carota ssp. maximus (desf.) ball) @ 0.65%
Data GC Search Trop Picture
3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl cyclohexan-1-one


PubMed:Determination of chemical constituents of leaf and stem essential oils of Artemisia monosperma from central Saudi Arabia.
PubMed:Positive GABA(A) receptor modulators from Acorus calamus and structural analysis of (+)-dioxosarcoguaiacol by 1D and 2D NMR and molecular modeling.
PubMed:Identification of an EcoRI restriction site for a rapid and precise determination of beta-asarone-free Acorus calamus cytotypes.
PubMed:[Extraction of thermolabile compounds with supercritical gases.].
Constit. of the rhizome of Acorus calamus (sweet flag)
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