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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
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    Literature & References

tonka ketone

Chemical Structure

General Material Information

Preferred name tonka ketone
Trivial Name 2-Acetylbenzofuran
Short Description coumarone (Symrise)
Formula C10 H8 O2
CAS Number 1646-26-0
ECHA Number 216-706-9
FDA UNII A1FJQ7D0K3
Nikkaji Number J71.201I
Beilstein Number 0117910
MDL MFCD00005849
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 2-acetyl benzofuran
  • 2-acetyl coumarone
  • 2-acetyl cumarone
  • 2-acetylbenzo[b]furan
  • 2-acetylbenzofuran
  • 2-acetylcoumarone
  • 2-acetylcumarone
  • benzo(b)furan-2-yl methyl ketone
  • 1-benzo[b]furan-2-ylethan-1-one
  • benzofur-2-yl ethan-1-one
  • benzofuran-2-yl methyl ketone
  • 1-benzofuran-2-yl-ethanone
  • 1-( benzofuran-2-yl)ethan-1-one
  • 1-( benzofuran-2-yl)ethanone
  • 1-(1-benzofuran-2-yl)ethanone
  • 1-(2-benzofuranyl) ethanone
  • 1-(2-benzofuranyl)ethanone
  • coumarone (Symrise)
  • ethanone, 1-(2-benzofuranyl)-
  • ketone, 2-benzofuranyl methyl
  • 1-(2-Benzofuranyl)ethanone
  • 2-Acetylbenzofuran
  • 2-Acetylcoumarone
  • Benzo[b]furan-2-yl methyl ketone
  • 2-Benzofuranyl methyl ketone
  • 1-(2-Benzofuryl)-1-ethanone
  • 2-Benzofuryl methyl ketone
  • 2-Acetylbenzo[b]furan
  • NSC 23974
  • NSC 28904
  • 1-(Benzofuran-2-yl)ethan-1-one
  • 1-(1-Benzofuran-2-yl)ethanone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-(1-benzofuran-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15435
Pubchem (sid):134980357
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
7-Methyl-2-benzofuran carboxaldehyde

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.99.0000
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.17216491699
Melting Point 70 to 72°C @ 760 mm Hg
Boiling Point 271 to 272°C @ 760 mm Hg
Vapor Pressure 0.007 mmHg @ 25 °C
Flash Point TCC Value 112.78 °C TCC
logP (o/w) 2.481 est
Solubility
alcohol Yes
water, 1415 mg/L @ 25 °C (est) Yes
Stability
AP roll-on 15% (good) Unspecified
bleach (poor) Unspecified
body lotion (very good) Unspecified
cleaner APC liquid (good) Unspecified
cleaner liquid citric acid (good) Unspecified
detergent powder conc. (very good) Unspecified
shampoo/shower gel (very good) Unspecified
soap (very good) Unspecified

Organoleptic Properties

Odor Type: Coumarinic
sweet, coumarinic, floral, orangeflower, tropical, neroli, lactonic, honeysuckle, honey
Luebke, William tgsc, (2016) At 10.00 % in dipropylene glycol. sweet coumarinic floral orangeflower tropical neroli lactonic honeysuckle honey
Flavor Type: Nutty
nutty, almond bitter almond
General comment Nutty, bitter almond

Potential Uses

Applications
Odor purposes Amber , Coconut , Fruit , Mock orange , Neroli , Orange blossom , Tonka bean
Cosmetic purposes Fragrance , Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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.
Human Experience:
non-sensitising
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 1200 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for tonka ketone usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for tonka ketone flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1646-26-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15435
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(1-benzofuran-2-yl)ethanone
Chemidplus:0001646260