parasorbic acid
hexenollactone
 
Notes:
None found
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CAS Number: 108-54-3Picture of molecule3D/inchi
Nikkaji Web: J79.447C
XlogP3-AA: 1.10 (est)
Molecular Weight: 112.12816000
Formula: C6 H8 O2
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
PubMed: Search
NCBI: Search
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Physical Properties:
Food Chemicals Codex Listed: No
Soluble in:
 water, 4.992e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for parasorbic acid usage levels up to:
 not for fragrance use.
 
Recommendation for parasorbic acid flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 24869
National Institute of Allergy and Infectious Diseases: Data
 2-methyl-2,3-dihydropyran-6-one
Chemidplus: 0000108543
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References:
 2-methyl-2,3-dihydropyran-6-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 24869
Pubchem (cas): 108-54-3
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB001425
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: 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
 vaccinium macrocarpon
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Synonyms:
5,6-dihydro-6-methyl-2H-pyran-2-one
 hexenollactone
2-methyl-2,3-dihydropyran-6-one
2H-pyran-2-one, 5,6-dihydro-6-methyl- (8CI)(9CI)
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Articles:
PubMed: Synthesis of the spiroiminal moiety and approaches to the synthesis of marineosins A and B.
PubMed: Synthesis of γ- and δ-lactone natural products by employing a trans-cis isomerization/lactonization strategy.
PubMed: Insecticidal effect and chemical composition of the volatile oil from Bergenia ligulata.
PubMed: Constituents of the roots of Melochia chamaedrys.
PubMed: Long-term toxicity of parasorbic acid in mice.
PubMed: Long-term toxicity of parasorbic acid in rats.
PubMed: Parasorbic acid.
PubMed: Atomic models for the polypeptide backbones of myohemerythrin and hemerythrin.
PubMed: Improved method for the estimation of parasorbic acid in sorbic acid.
PubMed: Analysis and improved synthesis of parasorbic acid.
PubMed: Relation of amino acids to trypanocidal activity of parasorbic acid.
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