3-oxo-alpha-ionol
2-cyclohexen-1-one, 4-[(1E)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-
 
Notes:
None found
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CAS Number: 34318-21-3Picture of molecule3D/inchi
Nikkaji Web: J127.245D
XlogP3-AA: 1.60 (est)
Molecular Weight: 208.30080000
Formula: C13 H20 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
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US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 315.00 to  316.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000036 mmHg @ 25.00 °C. (est)
Flash Point: 272.00 °F. TCC ( 133.33 °C. )
logP (o/w): 2.146 (est)
Soluble in:
 alcohol
 water, 568.9 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
spicy
 
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 3-oxo-alpha-ionol usage levels up to:
 not for fragrance use.
 
Recommendation for 3-oxo-alpha-ionol 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 : 5370052
National Institute of Allergy and Infectious Diseases: Data
 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
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References:
 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5370052
Pubchem (sid): 10519418
Flavornet: 34318-21-3
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
HMDB (The Human Metabolome Database): Search
FooDB: FDB021721
YMDB (Yeast Metabolome Database): YMDB01608
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
 grape fruit
Search Trop  Picture
 oak wood
Search  PMC Picture
 raspberry red raspberry fruit
Search Trop  Picture
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Synonyms:
2-cyclohexen-1-one, 4-[(1E)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-
4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
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Articles:
PubMed: Abietane diterpenoids from Sideritis montana L. and their antiproliferative activity.
PubMed: Quantification of three galloylglucoside flavour precursors by liquid chromatography tandem mass spectrometry in brandies aged in oak wood barrels.
PubMed: Taraxerol 4-Methoxybenzoate, an in vitro Inhibitor of Photosynthesis Isolated from Pavonia multiflora A. St-Hil. (Malvaceae).
PubMed: C15049. Taraxerol 4-Methoxybenzoate, an in vitro Inhibitor of Photosynthesis Isolated from Pavonia multiflora A. St-Hil. (Malvaceae).
PubMed: The seasonal variations of allelopathic activity and allelopathic substances in Brachiaria brizantha.
PubMed: Phytotoxic substance with allelopathic activity in Brachiaria decumbens.
PubMed: Structural elucidation of two new megastigmane glycosides from the leaves of Aquilaria sinensis.
PubMed: Heliolactone, a non-sesquiterpene lactone germination stimulant for root parasitic weeds from sunflower.
PubMed: Volatile organic compounds of six French Dryopteris species: natural odorous and bioactive resources.
PubMed: Phytotoxic substances with allelopathic activity may be central to the strong invasive potential of Brachiaria brizantha.
PubMed: Centrifugal partition chromatography applied to the isolation of oak wood aroma precursors.
PubMed: Volatile composition of six horsetails: prospects and perspectives.
PubMed: Floral markers of cornflower (Centaurea cyanus) honey and its peroxide antibacterial activity for an alternative treatment of digital dermatitis.
PubMed: Influence of deficit irrigation and kaolin particle film on grape composition and volatile compounds in Merlot grape (Vitis vinifera L.).
PubMed: Two new 3-oxo-α-ionol glucosides from Urtica laetevirens Maxim.
PubMed: Antioxidant activity and chemical composition of essential oil from Atriplex undulata.
PubMed: Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
PubMed: Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.
PubMed: Analysis of carotenoids in grapes to predict norisoprenoid varietal aroma of wines from Apulia.
PubMed: [Chemical constituents from Faeces bombycis].
PubMed: New attractants for males of the solanaceous fruit fly Bactrocera latifrons.
PubMed: Two new megastigmane glycosides, physanosides A and B, from Physalis alkekengi L. var. franchetii, and their effect on NO release in macrophages.
PubMed: Megastigmane glucosides from Equisetum debile and E. diffusum.
PubMed: Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE).
PubMed: Hydrolysis and transformation of grape glycosidically bound volatile compounds during fermentation with three Saccharomyces yeast strains.
PubMed: Chemical constituents of Glechoma longituba.
PubMed: Generation of aroma compounds from Ditaxis heterantha by Saccharomyces cerevisiae.
PubMed: Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.
PubMed: Antifungal compounds from the root and root exudate of Zea mays.
PubMed: Constituents of the stems and fruits of Opuntia ficus-indica var. saboten.
PubMed: Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). changes in bound aroma profile during maturation.
PubMed: Aroma composition of Vitis vinifera Cv. tannat: the typical red wine from Uruguay.
PubMed: 3,4-Dihydroxy-7,8-dihydro-beta-ionone 3-O-beta-D-glucopyranoside and other glycosidic constituents from apple leaves.
PubMed: (6S)-Hydroxy-3-oxo-alpha-ionol glucosides from Capparis spinosa fruits.
PubMed: Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera Muscat of Alexandria and Shiraz cultivars.
PubMed: C(13)-Norisoprenoid glucoconjugates from lulo (Solanum quitoense L.) leaves.
PubMed: Megastigmane glycosides from Salvia nemorosa.
PubMed: Alangionosides G-M: glycosides of megastigmane derivatives from the leaves of Alangium premnifolium.
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