allethrolone, 29605-88-7

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Name:	4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
CAS Number:	29605-88-7	3D/inchi
Other(deleted CASRN):	551-45-1
ECHA EINECS - REACH Pre-Reg:	249-724-0
FDA UNII:	Search
Nikkaji Web:	J68.884C
XlogP3-AA:	0.40 (est)
Molecular Weight:	152.19304000
Formula:	C9 H12 O2
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
Boiling Point:	275.70 °C. @ 760.00 mm Hg (est)
Flash Point:	239.00 °F. TCC ( 115.20 °C. ) (est)
logP (o/w):	0.420 (est)
Soluble in:
	water, 2.704e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

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 allethrolone usage levels up to:
	not for fragrance use.

Recommendation for allethrolone flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):29605-88-7

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11083

National Institute of Allergy and Infectious Diseases:Data

4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one

Chemidplus:0029605887

References:

	4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	11083
Pubchem (sid):	134978427

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):	Search
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

found in nature

Synonyms:

(1)-2-	allyl-4-hydroxy-3-methyl cyclopent-2-en-1-one
2-	cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl- (VAN) (8CI)
2-	cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
2-	cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-
2-	cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-, (+-)-
(±)-4-	hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one
4-	hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one

Articles:

PubMed:Comparative study of properties of immobilized lipase onto glutaraldehyde-activated amino-silica gel via different methods.

PubMed:Improvement of catalytic properties of lipase from Arthrobacter sp. by encapsulation in hydrophobic sol-gel materials.

PubMed:Lyophilization of lipase with cyclodextrins for efficient catalysis in ionic liquids.

PubMed:Biodegradation of allethrin, a pyrethroid insecticide, by an acidomonas sp.

PubMed:Liquid chromatography-tandem mass spectrometry for the identification of impurities in d-allethrin samples.

PubMed:Enhanced production of Penicillium expansum PED-03 lipase through control of culture conditions and application of the crude enzyme in kinetic resolution of racemic Allethrolone.

PubMed:GC-FID/MS method for the impurity profiling of synthetic d-allethrin.

PubMed:Esbiothrin-impregnated ropes as mosquito repellent.

PubMed:The effectiveness of mosquito coils containing esbiothrin under laboratory and field conditions.

PubMed:The effect of the phenylhydrazine moiety on the substitution at the carbonyl residue in phenylhydrazones of isohydrocoriamyrtin and allethrolone.

Notes:

None found

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allethrolone 2-cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-

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Articles:

allethrolone
2-cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-