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vomifoliol
4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one (mixture of isomers)

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Name:4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
CAS Number: 24427-77-8Picture of molecule3D/inchi
FDA UNII:1O6H4GI83P
XlogP3-AA:0.50 (est)
Molecular Weight:224.30000000
Formula:C13 H20 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA: Mixture of isomers: 63-68% E, 30-35% Z; m.p. = 98-104 C
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2058 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one (mixture of isomers)
FEMA Number:4661 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one (mixture of isomers)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):23526-45-6 ; 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
 
Physical Properties:
Appearance:white crystalline powder (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 98.00 to 104.00 °C. @ 760.00 mm Hg
Boiling Point: 362.00 to 363.00 °C. @ 760.00 mm Hg (est)
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 Strength:medium
Odor Description:at 100.00 %. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
vomifoliol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 vomifoliol usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 1.0000010.00000
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :440244
National Institute of Allergy and Infectious Diseases:Data
4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
Chemidplus:0024427778
 
References:
 4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):440244
Pubchem (sid):52134962
Pherobase:View
 
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
KEGG (GenomeNet):C01760
HMDB (The Human Metabolome Database):Search
FooDB:FDB015766
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
FAO:4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one (mixture of isomers)
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 grape fruit
Search Trop Picture
 mango fruit
Search Trop Picture
 mulberry indian mulberry fruit
Search Trop Picture
 passion fruit
Search Trop Picture
 star fruit fruit
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Synonyms:
4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one (mixture of isomers)
4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
4-(1-hydroxy-4-keto-2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
 

Articles:

PubMed:The antiacetylcholinesterase and antileishmanial activities of Canarium patentinervium Miq.
PubMed:Tigliane diterpenes from Croton mauritianus as inhibitors of chikungunya virus replication.
PubMed:Bioactive compounds from Vitex leptobotrys.
PubMed:[Chemical constituents of chloroform fraction from leaves of Chimonanthus salicifolius].
PubMed:Phytochemical and physical-chemical analysis of Polish willow (Salix spp.) honey: identification of the marker compounds.
PubMed:The volatile profiles of a rare apple (Malus domestica Borkh.) honey: shikimic acid-pathway derivatives, terpenes, and others.
PubMed:[Chemical consitituents from root of Isatis indigotica].
PubMed:Structural studies of the chemical constituents of Tithonia tagetiflora Desv. (Asteraceae).
PubMed:[Chemical constituents of Aconitum tanguticum].
PubMed:Vomifoliol 9-O-α-arabinofuranosyl (1→6)-β-D-glucopyranoside from the leaves of Diospyros Kaki stimulates the glucose uptake in HepG2 and 3T3-L1 cells.
PubMed:Screening of natural organic volatiles from Prunus mahaleb L. honey: coumarin and vomifoliol as nonspecific biomarkers.
PubMed:[Studies on the chemical constituents of Pharbitis purpurea].
PubMed:Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
PubMed:Flavonoid glycosides from Microtea debilis and their cytotoxic and anti-inflammatory effects.
PubMed:Metabolites from Withania aristata with potential phytotoxic activity.
PubMed:Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol and other compounds.
PubMed:A novel compound isolated from the peels of Citrus changshan-huyou.
PubMed:A simple synthesis of four stereoisomers of roseoside and their inhibitory activity on leukotriene release from mice bone marrow-derived cultured mast cells.
PubMed:Speciosaperoxide, a new triterpene acid, and other terpenoids from Chaenomeles speciosa.
PubMed:Isolation and structure elucidation of a flavanone, a flavanone glycoside and vomifoliol from Echiochilon fruticosum growing in Tunisia.
PubMed:Echiofruzine, a novel naringenin diglycoside from Echiochilon fruticosum growing in Tunisia.
PubMed:Bioactive constituents from Rollinia emarginata (Annonaceae).
PubMed:Cuneatoside, a new megastigmane diglycoside from Erythroxylum cuneatum Blume.
PubMed:Chemical constituents of Glechoma longituba.
PubMed:[The megastigman glycosides from herb of Potentilla multifida].
PubMed:Synthesis of optically active vomifoliol and roseoside stereoisomers.
PubMed:Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.
PubMed:Phytochemical constituents of Carpesium macrocephalum F(R). et S(AV).
PubMed:Phenolic compounds from Baseonema acuminatum leaves: isolation and antimicrobial activity.
PubMed:Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). changes in bound aroma profile during maturation.
PubMed:Compounds obtained from sida acuta with the potential to induce quinone reductase and to inhibit 7,12-dimethylbenz[a]anthracene-induced preneoplastic lesions in a mouse mammary organ culture model.
PubMed:Aroma composition of Vitis vinifera Cv. tannat: the typical red wine from Uruguay.
PubMed:A new triterpenoid from Stelmatocrypton khasianum.
PubMed:Constituents of the Vietnamese medicinal plant Orthosiphon stamineus.
PubMed:Lipid peroxidation inhibitory activity of some constituents isolated from the stem bark of Eucalyptus globulus.
PubMed:C(13)-Norisoprenoid glucoconjugates from lulo (Solanum quitoense L.) leaves.
PubMed:Vomifoliol 9-O-beta-D-glucopyranosyl-4-O-beta-D-xylopyranosyl-6-O-beta-D- glucopyranoside: a trisaccharide glycoside from apple fruit.
PubMed:Acetylenes and Other Constituents from Artemisia dracunculus.
PubMed:[Studies on the constituents of trichosanthes root. I. Constituents of roots of Trichosanthes kirilowii Maxim. var. japonicum Kitam].
PubMed:Radioimmunoassay for the determination of free and conjugated abscisic acid.
PubMed:The effect of vomifoliol on stomatal aperture.
PubMed:Further effects of vomifoliol on stomatal aperture and on the germination of lettuce and the growth of cucumber seedlings.
PubMed:[Vomifoliol: terpene alcohol isolated from leaves of Rauwolfia vomitoria Afz].
 
Notes:
None found
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