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

tonka ketone
coumarone (Symrise)

Sponsors

CAS Number: 1646-26-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-706-9
FDA UNII:A1FJQ7D0K3
Nikkaji Web:J71.201I
Beilstein Number:0117910
MDL:MFCD00005849
XlogP3:2.60 (est)
Molecular Weight:160.17216000
Formula:C10 H8 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white to beige crystals (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 70.00 to 72.00 °C. @ 760.00 mm Hg
Boiling Point: 90.00 °C. @ 1.50 mm Hg
Boiling Point: 271.00 to 272.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.007000 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 2.481 (est)
Soluble in:
 alcohol
 water, 1415 mg/L @ 25 °C (est)
Stability:
 AP roll-on 15% (good)
 bleach (poor)
 body lotion (very good)
 cleaner APC liquid (good)
 cleaner liquid citric acid (good)
 detergent powder conc. (very good)
 shampoo/shower gel (very good)
 soap (very good)
 
Organoleptic Properties:
Odor Type: coumarinic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
sweet coumarinic floral orangeflower tropical neroli lactonic honeysuckle honey
Odor Description:at 10.00 % in dipropylene glycol. sweet coumarinic floral orangeflower tropical neroli lactonic honeysuckle honey
Odor sample from: Symrise AG
Flavor Type: nutty
">nutty almond bitter almond
Taste Description: nutty, bitter almond
Odor and/or flavor descriptions from others (if found).
Symrise
Coumarone
Odor Description:sweet coumarin-like, with elements of orange flower, tonka and lactones
Stable in: body lotion (very good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (good), bleach (poor).
Indukern F&F
COUMARONE
Odor Description:SWEET, NEROLI, TONKA
Taste Description:tonka
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
perfuming agents
 
Suppliers:
Associate Allied Chemicals
Coumaron
About
BOC Sciences
For experimental / research use only.
Benzofuran-2-yl Methyl Ketone
Indukern F&F
COUMARONE
Odor: SWEET, NEROLI, TONKA
Liaison Carbone
COUMARONE
Lluch Essence
COUMARONE 99%
Odor: SWEET, FLORAL, TONKA LIKE
Perfumery Laboratory
Kumaron Symrise (COUMARONE 600303 Symrise)
Odor: Sweet, coumarin, lactone with a touch of orange blossom
Santa Cruz Biotechnology
For experimental / research use only.
2-Benzofuranyl methyl ketone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Benzofuranyl methyl ketone 99%
Symrise
Coumarone
Odor: sweet coumarin-like, with elements of orange flower, tonka and lactones
Use: Stable in: body lotion (very good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (good), bleach (poor).
 
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
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
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
 
References:
 1-(1-benzofuran-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15435
Pubchem (sid):134980357
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
RSC Learn Chemistry: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
For Odor
No odor group found for these
7-
methyl coumarin replacer
FR
balsamic
balsamic
6-
methyl coumarin replacer
FR
coconut
coconut decanone methyl
FR
coumarinic
coumarin replacer
FR
deertongue oil
FR
tonka bean oil
FR
tonka bean oleoresin
FR
tonka bean resinoid
FR
tonka bean resinoid replacer
FR
tonka bean tincture
FR
tonkavert
FR
floral
para-
anisyl nitrile
FR
fruity
fruity cyclopentanone
FR
2-
hexenyl cyclopentanyl acetate
FR
green
narcissus flower absolute
FR
hay
hay absolute
FR
mossy
flouve oil
FR
sweet
tonka bean absolute replacer
FR
tobacco
deertongue absolute replacer
FR
tonka
coumarin
FR
deertongue absolute
FR
deertongue concrete
FR
deertongue oleoresin
FR
dihydrocoumarin replacer
FR
flouve absolute
FR
melilot absolute
FR
tonka bean absolute
FR
tonka undecanone
FR
For Flavor
 
Potential Uses:
FRamber
FRcoconut
FRfruit
FRneroli
FRorange blossom
FRorange mock
FRtonka bean
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 tonka ketone
 
 
Notes:
None found
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