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

Name:1-(1-benzofuran-2-yl)ethanone
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
Moellhausen
COUMARONE
Odor Description:sweet coumarin-like, with elements of orange flower, tonka and lactones
 
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
Moellhausen
COUMARONE
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
animal
animal
6-
methyl quinoline
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
6-
methyl coumarin replacer
FR
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
fenugreek absolute
FL/FR
immortelle absolute
FL/FR
citrus
lime oil expressed florida
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
octalactone
FL/FR
delta-
octalactone
FL/FR
coumarinic
coumane
FL/FR
coumarin replacer
FR
epsilon-
decalactone
FL/FR
deertongue oil
FR
phthalide
FL/FR
tonka bean oil
FR
tonka bean oleoresin
FR
tonka bean resinoid
FR
tonka bean resinoid replacer
FR
tonka bean tincture
FR
tonka furanone
FL/FR
tonkavert
FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
para-
vanillyl alcohol
FL/FR
floral
para-
anisyl nitrile
FR
ortho-
methyl acetophenone
FL/FR
para-
methyl acetophenone
FL/FR
methyl dihydrojasmonate
FL/FR
fruity
2-
benzofuran carboxaldehyde
FL/FR
cherry propanol
FL/FR
fruity cyclopentanone
FR
2-
hexenyl cyclopentanyl acetate
FR
tolualdehydes (mixed o,m,p)
FL/FR
green
heptanal dimethyl acetal
FL/FR
narcissus flower absolute
FR
syringaldehyde
FL/FR
tiglaldehyde
FL/FR
hay
hay absolute
FR
herbal
immortelle flower oil
FL/FR
gamma-
valerolactone
FL/FR
lactonic
jasminone
FL/FR
mossy
flouve oil
FR
musty
2-
acetyl pyrrole
FL/FR
nutty
2-
acetyl-5-methyl furan
FL/FR
powdery
para-
anisyl acetate
FL/FR
spicy
myrtenal
FL/FR
sweet
tonka bean absolute replacer
FR
tobacco
deertongue absolute replacer
FR
tonka
6-
amyl-alpha-pyrone
FL/FR
coumarin
FR
deertongue absolute
FR
deertongue concrete
FR
deertongue oleoresin
FR
dihydrocoumarin replacer
FR
(±)-
dihydromint lactone
FL/FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
melilot absolute
FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
saffron resinoid
FL/FR
tonka bean absolute
FR
tonka undecanone
FR
whiskey lactone
FL/FR
For Flavor
No flavor group found for these
coconut naphthalenone
FL/FR
coumane
FL/FR
delta-2-
dodecenolactone
FL/FR
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
tonka furanone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
anisic
ortho-
methyl acetophenone
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
brown
2-oxo
butyric acid
FL/FR
caramellic
fenugreek absolute
FL/FR
celery
jasminone
FL/FR
citrus
lime oil expressed florida
FL/FR
cocoa
syringaldehyde
FL/FR
coconut
octahydrocoumarin
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
alpha-
angelica lactone
FL/FR
gamma-
hexalactone
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
para-
vanillyl alcohol
FL/FR
floral
methyl dihydrojasmonate
FL/FR
fruity
para-
anisyl acetate
FL/FR
cherry propanol
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
tiglaldehyde
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
green
heptanal dimethyl acetal
FL/FR
immortelle absolute
FL/FR
herbal
immortelle flower oil
FL/FR
lactonic
(±)-
dihydromint lactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
minty
myrtenal
FL/FR
nutty
2-
acetyl pyrrole
FL/FR
2-
acetyl-5-methyl furan
FL/FR
2-
benzofuran carboxaldehyde
FL/FR
sweet
saffron resinoid
FL/FR
tonka
gamma-
valerolactone
FL/FR
waxy
epsilon-
decalactone
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FRamber
FRcoconut
FRfruit
FRmock orange
FRneroli
FRorange blossom
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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