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

7H-furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-

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CAS Number: 31575-93-6Picture of molecule3D/inchi
Nikkaji Web:J493.550K
XlogP3:1.20 (est)
Molecular Weight:304.29872000
Formula:C16 H16 O6
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
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Food Chemicals Codex Listed: No
Boiling Point: 544.00 to 545.00 °C. @ 760.00 mm Hg (est)
Flash Point: 541.00 °F. TCC ( 283.00 °C. ) (est)
logP (o/w): 1.063 (est)
Soluble in:
 water, 744.4 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Alfa Biotechnology
For experimental / research use only.
Heraclenol 98%
BOC Sciences
For experimental / research use only.
Heraclenol 0.985
Odor: characteristic
Use: Heraclenol isolated from the herbs of Heracleum repula Franch. It inhibit the proliferation of melanoma cells and cell cycle.
For experimental / research use only.
Heraclenol from Plants ≥96%
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
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:
natural substances and extractives
Recommendation for heraclenol usage levels up to:
 not for fragrance use.
Recommendation for heraclenol flavor usage levels up to:
 not for flavor use.
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 :328236
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):328236
Pubchem (sid):135029226
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 citrus oils
Search PMC Picture
 lemon fruit oil
Search Trop Picture
 parsley leaf oil @ 0.37%
Data GC Search Trop Picture
 parsley seed
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7H-furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-


PubMed:In vitro and in vivo antiproliferative effect of a combination of ultraviolet-A and alkoxy furocoumarins isolated from Umbelliferae medicinal plants, in melanoma cells.
PubMed:[A new natural product from root of Angelica dahurica cv. Qibaizhi].
PubMed:Phytotoxic furanocoumarins from the shoots of Semenovia transiliensis.
PubMed:Bioactivity-guided fractionation for the butyrylcholinesterase inhibitory activity of furanocoumarins from Angelica archangelica L. roots and fruits.
PubMed:Vasorelaxation by extracts of Casimiroa spp. in rat resistance vessels and pharmacological study of cellular mechanisms.
PubMed:[Chemical constituents of Incarvillea younghusbandii].
PubMed:Coumarins from Angelica lucida L.--antibacterial activities.
PubMed:Screening of potential chemopreventive compounds from Poncirus trifoliata Raf.
PubMed:Chemical constituents of Selinum cryptotaenium.
PubMed:Candibirin A, a furanocoumarin dimer isolated from Heracleum candicans WALL.
PubMed:Two new coumarin derivatives from the roots of Heracleum rapula.
PubMed:A new dicoumarinyl ether and two rare furocoumarins from Ruta montana.
PubMed:HPLC-NMR/HPLC-MS analysis of the bark extract of Stauranthus perforatus.
PubMed:[Glucosides from Pleurospermum rivulorum].
PubMed:Triterpene and coumarins from Skimmia laureola.
PubMed:A bioassay using the human hepatoblastoma cell line HepG2 for detecting phototoxicity of furocoumarins.
PubMed:Three novel cyclospirobifuranocoumarins, cyclorivulobirins A-C, from Pleurospermum rivulorum.
PubMed:Anti-inflammatory activity of coumarins from Decatropis bicolor on TPA ear mice model.
PubMed:Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.
PubMed:[Studies on the chemical constituents of the herb huanghuaren (Sida acutá Burm. f.)].
None found
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