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

(6S,9R)-vomifoliol
blumenol A

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CAS Number: 23526-45-6Picture of molecule3D/inchi
FDA UNII: P86438KC5J
Nikkaji Web:J16.949H
XlogP3-AA:0.50 (est)
Molecular Weight:224.30000000
Formula:C13 H20 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (SATF):23526-45-6 ; 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 113.00 to 114.00 °C. @ 760.00 mm Hg
Boiling Point: 361.00 to 363.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000001 mmHg @ 25.00 °C. (est)
Flash Point: 369.00 °F. TCC ( 187.10 °C. ) (est)
logP (o/w): 1.479 (est)
Soluble in:
 alcohol
 water, 1249 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Vomifoliol 97%
Odor: characteristic
Use: Vomifoliol isolated from the herbs of Vitis vinifera.
Coompo
For experimental / research use only.
Vomifoliol from Plants ≥96%
Odor: characteristic
Use: Vomifoliol caused as much stomatal closure in epidermal strips of Eichhornia crassipes (Mart.) Solms as ABA at identical concentrations. It appears worthwhile to investigate whether vomifoliol plays a role as an endogenous regulator of stomatal aperture.
 
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:
flavoring agents
Recommendation for (6S,9R)-vomifoliol usage levels up to:
 not for fragrance use.
 
Structure Class: II
 
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 :5280462
National Institute of Allergy and Infectious Diseases:Data
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Chemidplus:0023526456
 
References:
 (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5280462
Pubchem (sid):10548819
 
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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C01760
HMDB (The Human Metabolome Database):Search
YMDB (Yeast Metabolome Database):YMDB01608
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
 citrus changshan-huyou y.b. chang peel
PbMd Search Trop Picture
 echiochilon fruticosum
Search Trop Picture
 rauwolfia vomitoria leaf
Search Trop Picture
 
Synonyms:
 blumenol A
(6S,9R)-6-hydroxy-3-oxo-alpha-ionol
(4S)-4-hydroxy-4-((E,3R)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
 

Articles:

PubMed:[Sesquiterpenoids from Solanum lyratum].
PubMed:Metabolites from carnivorous fungus Arthrobotrys entomopaga and their functional roles in fungal predatory ability.
PubMed:Chemical constituents of Spatholobus suberectus.
PubMed:[Chemical constituents from Gueldenstaedtia stenophylla].
PubMed:Identification of two phytotoxins, blumenol A and grasshopper ketone, in the allelopathic Japanese rice variety Awaakamai.
PubMed:Neonaucline, a new indole alkaloid from the leaves of Ochreinauclea maingayii (Hook. f.) Ridsd. (Rubiaceae).
PubMed:[Chemical constituents from flowers of Chrysanthemum indicum].
PubMed:[Studies on the chemical constituents of Pharbitis purpurea].
PubMed:The constituents of Urtica cannabina used in Uighur medicine.
PubMed:An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.
PubMed:Two new sesquiterpenoids from Solanum lyratum with cytotoxic activities.
PubMed:[Studies on chemical constituents of aerial parts of Ammopiptanthus mongolicus].
PubMed:New germacrane sesquiterpenes from Salvia chinensis.
PubMed:Inhibitory constituents of Euscaphis japonica on lipopolysaccharide-induced nitric oxide production in BV2 microglia.
PubMed:Synthesis of optically active vomifoliol and roseoside stereoisomers.
PubMed:Three new compounds from Isodon melissoides.
PubMed:Constituents of the stems of Macrococculus pomiferus and their inhibitory activities against cyclooxygenases-1 and -2.
PubMed:Allelopathic potential of Macaranga tanarius (L.) muell.-arg.
PubMed:Glycosidic fraction of flue-cured tobacco leaves: its separation and component analysis.
PubMed:C(13)-Norisoprenoid glucoconjugates from lulo (Solanum quitoense L.) leaves.
PubMed:A lignan and four terpenoids from Brucea javanica that induce differentiation with cultured HL-60 promyelocytic leukemia cells.
 
Notes:
None found
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