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

2,4-cycloheptadien-1-one, 2,6,6-trimethyl-

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CAS Number: 503-93-5Picture of molecule3D/inchi
Nikkaji Web:J11.789G
XlogP3-AA:2.60 (est)
Molecular Weight:150.22078000
Formula:C10 H14 O
BioActivity Summary:listing
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:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 226.00 to 227.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.080000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.357 (est)
Soluble in:
 water, 255.6 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. minty
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.
2,6,6-Trimethyl-2,4-cycloheptadien-1-one >96.0%(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
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 eucarvone usage levels up to:
 not for fragrance use.
Recommendation for eucarvone 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 :136330
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):136330
Pubchem (sid):135091990
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
KEGG (GenomeNet):C16955
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
RSC Learn Chemistry:View
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 angelica root oil @ 0.41%
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 currant black currant bud
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 gingergrass oil @ 0.10%
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 wormwood oil cuba @ 0.06%
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2,4-cycloheptadien-1-one, 2,6,6-trimethyl-


PubMed:Effect of different growth stages of Ziziphora clinopodioides Lam. on its chemical composition.
PubMed:Comparative analysis of two species of Asari Radix et Rhizoma by electronic nose, headspace GC-MS and chemometrics.
PubMed:The essential oils of Chamaecyparis obtusa promote hair growth through the induction of vascular endothelial growth factor gene.
PubMed:Reversible effects of permeation enhancers on human skin.
PubMed:[Analysis of volatile constituents of root and rhizome of Asarum heterotropoides Fr. var. mandshuricum (Maxim.) Kitag. by gas chromatography-mass spectrometry].
PubMed:[Not Available].
None found
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