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

7-methyl coumarin
2H-1-benzopyran-2-one, 7-methyl-

Supplier Sponsors

Name:7-methylchromen-2-one
CAS Number: 2445-83-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-499-3
FDA UNII:YCN83T03QU
Nikkaji Web:J118.426A
Beilstein Number:0122625
MDL:MFCD00006880
XlogP3:1.80 (est)
Molecular Weight:160.17216000
Formula:C10 H8 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
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:
Appearance:pale white powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 128.00 to 130.00 °C. @ 760.00 mm Hg
Boiling Point: 171.00 to 172.00 °C. @ 11.00 mm Hg
Boiling Point: 128.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.56 °C. )
logP (o/w): 2.274 (est)
Soluble in:
 alcohol
 water, 1189 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: tonka
Odor Strength:low ,
recommend smelling in a 1.00 % solution or less
Substantivity:400 hour(s) at 20.00 % in dipropylene glycol
sweet coumarinic tonka coconut powdery
Odor Description:at 100.00 %. sweet coumarin tonka coconut powdery
Luebke, William tgsc, (1991)
Odor sample from: Berje Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
ExtraSynthese
For experimental / research use only.
7-Methylcoumarin (HPLC) ≥95%
Penta International
7-METHYL COUMARIN
Santa Cruz Biotechnology
For experimental / research use only.
7-Methylcoumarin
Sigma-Aldrich: Aldrich
For experimental / research use only.
7-Methylcoumarin ≥98%
TCI AMERICA
For experimental / research use only.
7-Methylcoumarin >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50 3800 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.

Dermal Toxicity:
subcutaneous-mouse LD50 258 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.

skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA Critical Effect: Sensitization and photoallergy
IFRA: View Standard
Recommendation for 7-methyl coumarin usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for 7-methyl coumarin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):2445-83-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17131
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
7-methylchromen-2-one
Chemidplus:0002445832
RTECS:GN7792100 for cas# 2445-83-2
 
References:
 7-methylchromen-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2445-83-2
Pubchem (cid):17131
Pubchem (sid):134981923
 
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:2932.20.0500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
6-
methyl quinoline
FL/FR
balsamic
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
caramellic
fenugreek absolute
FL/FR
immortelle absolute
FL/FR
cheesy
2-
heptanone
FL/FR
citrus
lime oil expressed florida
FL/FR
coconut
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
hexahydrocoumarin
CS
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
gamma-
octalactone
FL/FR
delta-
octalactone
FL/FR
propyl octanoate
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
coumane
FL/FR
phthalide
FL/FR
tonka bean oleoresin
FR
tonka bean resinoid
FR
tonka furanone
FL/FR
tonka ketone
FR
tonkavert
FR
creamy
creamy lactone
FL/FR
para-
vanillyl alcohol
FL/FR
fatty
lauric acid
FL/FR
floral
para-
anisyl nitrile
FR
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
para-
methyl acetophenone
FL/FR
ortho-
methyl acetophenone
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
cherry propanol
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
green
alpha-
decalactone
FL/FR
syringaldehyde
FL/FR
hay
hay absolute
FR
herbal
immortelle flower oil
FL/FR
musty
2-
acetyl pyrrole
FL/FR
nutty
2-
acetyl-5-methyl furan
FL/FR
powdery
para-
anisyl acetate
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
methyl heptadienone
FL/FR
myrtenal
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
coumarin
FR
deertongue absolute
FR
deertongue oleoresin
FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
melilot absolute
FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tonka bean absolute
FR
tonka undecanone
FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
coconut naphthalenone
FL/FR
coumane
FL/FR
alpha-
decalactone
FL/FR
(S)-
dihydroactinidiolide
FL
dimethyl benzofuranone
FL
delta-2-
dodecenolactone
FL/FR
fig leaf absolute
FL
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
massoia bark oil
FL
melilot oleoresin
FL
7-
methoxycoumarin
FL
myristyl alcohol
FL/FR
4-
octen-3-one
FL
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
propyl octanoate
FL/FR
(R)-
tonka furanone
FL
tonka furanone
FL/FR
wine lactone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
anisic
ortho-
methyl acetophenone
FL/FR
caramellic
fenugreek absolute
FL/FR
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
citrus
lime oil expressed florida
FL/FR
cocoa
syringaldehyde
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
octahydrocoumarin
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
dihydrocoumarin
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
para-
vanillyl alcohol
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
2-
tridecanone
FL/FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
para-
anisyl acetate
FL/FR
cherry propanol
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
green
immortelle absolute
FL/FR
methyl heptadienone
FL/FR
herbal
immortelle flower oil
FL/FR
lactonic
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
minty
myrtenal
FL/FR
nutty
2-
acetyl pyrrole
FL/FR
2-
acetyl-5-methyl furan
FL/FR
powdery
powdery ketone
FL
soapy
1-
dodecanol
FL/FR
spicy
levisticum officinale oleoresin
FL
waxy
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FRamber
FRbalsam
FRcoconut
FRhay new mown hay
FRoriental
FRtonka bean
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2H-1-benzopyran-2-one, 7-methyl-
 coumarin, 7-methyl-
7-methyl-2H-1-benzopyran-2-one
7-methyl-2H-chromen-2-one
7-methylchromen-2-one
7-methylcoumarin
7-methylcumarin
 
 
Notes:
None found
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