umbellulone
bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (9CI)
 
Notes:
None found
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CAS Number: 24545-81-1Picture of molecule3D/inchi
Nikkaji Web: J99.982B
Beilstein Number: 2042730
XlogP3-AA: 1.60 (est)
Molecular Weight: 150.22078000
Formula: C10 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 92.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 220.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.159000 mmHg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 2.063 (est)
Soluble in:
 alcohol
 water, 279 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Odor Description:
at 10.00 % in dipropylene glycol. 
minty pungent
 
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:
oral-mouse LD50  1450 mg/kg
Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 777, 1974.

Dermal Toxicity:
subcutaneous-mouse LD50 965 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for umbellulone usage levels up to:
 not for fragrance use.
 
Recommendation for umbellulone 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 : 91195
National Institute of Allergy and Infectious Diseases: Data
 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
Chemidplus: 0024545811
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References:
 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 91195
Pubchem (sid): 135048111
Pherobase: View
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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
CHEBI: View
HMDB (The Human Metabolome Database): Search
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: 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
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 tansy oil argentina @ trace%
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Synonyms:
 bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (9CI)
 bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1- (1-methylethyl)-
 bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-
4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hex-3-en-2-one
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-3-en-2-one
4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
3-thujen-2-one
 umbellulon
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Articles:
Google Patents: Process for the manufacture of thymol from umbellulone
PubMed: Comparative investigation of Umbellularia californica and Laurus nobilis leaf essential oils and identification of constituents active against Aedes aegypti.
PubMed: Chemical composition, antimicrobial properties and toxicity evaluation of the essential oil of Cupressus lusitanica Mill. leaves from Cameroon.
PubMed: Composition, mosquito larvicidal, biting deterrent and antifungal activity of essential oils of different plant parts of Cupressus arizonica var. glabra ('Carolina Sapphire').
PubMed: Activation of TRPA1 on dural afferents: a potential mechanism of headache pain.
PubMed: Umbellulone modulates TRP channels.
PubMed: The 'headache tree' via umbellulone and TRPA1 activates the trigeminovascular system.
PubMed: Exploring natural products for new taste sensations.
PubMed: Chemical composition and larvicidal activity of essential oil of Cupressus arizonica E.L. Greene against malaria vector Anopheles stephensi Liston (Diptera: Culicidae).
PubMed: Hemisynthesis of dihydroumbellulols from umbellulone: new cooling compounds.
PubMed: Thermal and photochemical rearrangement of bicyclo[3.1.0]hex-3-en-2-one to the ketonic tautomer of phenol. Computational evidence for the formation of a diradical rather than a zwitterionic intermediate.
PubMed: Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (dc.) Feinbr. and Fertig.
PubMed: The role of mass spectrometry in medicinal plant research.
PubMed: A study on tansy chemotypes.
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