isomaltol, 3420-59-5

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CODE111920 CODE111920
Product(s):
3420-59-5 1-(3-Hydroxy-2-furyl)ethanone

Name:	1-(3-hydroxyfuran-2-yl)ethanone
CAS Number:	3420-59-5	3D/inchi
FDA UNII:	76NST80C38
Nikkaji Web:	J209.320K
XlogP3-AA:	1.20 (est)
Molecular Weight:	126.11142000
Formula:	C6 H6 O3
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
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

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	100.00 °C. @ 760.00 mm Hg
Boiling Point:	207.00 to 208.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.158000 mmHg @ 25.00 °C. (est)
Flash Point:	174.00 °F. TCC ( 79.20 °C. ) (est)
logP (o/w):	0.688 (est)
Soluble in:
	alcohol
	water, 5.12e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor Type: caramellic

burnt caramellic fruity

Odor Description:at 1.00 % in dipropylene glycol. burnt caramellic fruity

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

1-(3-Hydroxy-2-furyl)ethanone

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:
natural substances and extractives
Recommendation for isomaltol usage levels up to:
	not for fragrance use.

Recommendation for isomaltol 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 :18898

National Institute of Allergy and Infectious Diseases:Data

1-(3-hydroxyfuran-2-yl)ethanone

Chemidplus:0003420595

References:

	1-(3-hydroxyfuran-2-yl)ethanone
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	18898
Pubchem (sid):	134981551
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
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB011190
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View
EFSA Update of results on the monitoring of furan levels in food:	Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:	Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:	Read Report

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	bread wheat bread Search PMC Picture
	oak wood toasted Search PMC Picture
	tamarind fruit oil Search Trop Picture
	tamarind seed oil Search Trop Picture

Synonyms:

2-	acetyl-3-hydroxyfuran
	ethanone, 1-(3-hydroxy-2-furanyl)-
1-(3-	hydroxy-2-furanyl)ethanone
3-	hydroxy-2-furyl methyl ketone
1-(3-	hydroxy-2-furyl)ethanone
1-(3-	hydroxyfuran-2-yl)ethanone

Articles:

PubMed:Complexation, computational, magnetic, and structural studies of the Maillard reaction product isomaltol including investigation of an uncommon π interaction with copper(II).

PubMed:Characterization of a new Maillard type reaction product generated by heating 1-deoxymaltulosyl-glycine in the presence of cysteine.

PubMed:Anti-platelet effects of bioactive compounds isolated from the bark of Rhus verniciflua Stokes.

PubMed:Coordination chemistry and insulin-enhancing behavior of vanadium complexes with maltol C6H6O3 structural isomers.

PubMed:Different complexation properties of some hydroxy keto heterocycles toward beryllium(II) in aqueous solutions: experimental and theoretical studies.

PubMed:A new lignan glycoside from Eleutherococcus senticosus.

PubMed:Occurrence of galactosyl isomaltol and galactosyl beta-pyranone in commercial drinking milk.

PubMed:Formation of protein bound lysine-derived galactosyl and glucosyl pyrroles in heated model systems.

PubMed:[Demonstration and identification of a new Maillard compound in heated milk].

PubMed:[Diphenols and caramel compounds in roasted coffees of different varieties. II. (author's transl)].

PubMed:[Formation of pyridone derivates from maltose and lactose. XII. Investigations on the Maillard-reaction (authors transl)].

Notes:

None found

isomaltol ethanone, 1-(3-hydroxy-2-furanyl)-

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Articles:

isomaltol
ethanone, 1-(3-hydroxy-2-furanyl)-