maraniol
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IUPAC name :7-ethoxy-4-methylchromen-2-one
InChI :InChI=1/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChIKey :NKRISXMDKXBVRJ-UHFFFAOYAE
SMILES :CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
cas number :87-05-8
(EINECS) number :201-721-5
beilstein number :0169998
coe number :11870
fl. number :13.121
molar refractivity :55.78 ± 0.3 cm3
parachor :440.6 ± 6.0 cm3
index of refraction :1.548 ± 0.02
surface tension :39.6 ± 3.0 dyne/cm
density :1.163 ± 0.06 g/cm3
polarizability :22.11 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 204.2218800 (IUPAC)
formula :C12 H12 O3
BioActivity Analysis :108555
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :unspecified
Suppliers :
Endeavour :7-Ethoxy-4-methylcoumarin
99%
Penta :4-methyl-7-ethoxycoumarin
Treatt :7-Ethoxy-4-methylcoumarin
organoleptics :
odor type :nutty
odor strength :medium ,
recommend smelling in a 0.10 % solution or less
odor description:
at 100.00 %.  		nutty walnut
properties :
appearence :colorless crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 114.00 to 116.00 °C. @ 760.00 mm Hg
boiling point : 350.00 to 352.00 °C. @ 760.00 mm Hg
congealing point :113.00 °C.
flash point : 295.00  °F.  TCC  ( 146.11 °C. )
logP (o/w) : 2.90
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :information only not used for fragrances or flavors
 
IFRA critical Effect :Photoallergy
recommendation for maraniol fragrance usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for maraniol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : 4-Methyl-7-ethoxycoumarin )
Cancer Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :3
 
 
 
 
7-ethoxy-4-methylchromen-2-one
(EINECS) number :201-721-5
chemidplus :000087058
EPA Substance Registry Services :87-05-8
dtp/nci :60561
references :
 
7-ethoxy-4-methylchromen-2-one
fl. number :13.121
NIST Chemistry WebBook :1487518537
pubchem :208681
Cosmetics :
Cosmetic uses : not used anymore
other :
CosIng :cosmetic data
synonyms :
7-ethoxy-4-methyl-2H-1-benzopyran-2-one
7-ethoxy-4-methylchromen-2-one
7-ethoxy-4-methyl coumarin
 maraniol
4-methyl-7-ethoxycoumarin
soluble in :
 alcohol
potential blenders :    note
 acetalFL
 acetyl acetaldehyde dimethyl acetalFL
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 aconitic acidFL
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 benzothiazoleFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyramideFL
 butyroinFL
 butyrophenoneFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
 menthofuranFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2'-methyl acetophenoneFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
(Z)-2-octen-1-al 
 peanut dithiazineFL
 peanut oxazoleFL
2-phenyl propionaldehyde dimethyl acetalFL/FR
 popcorn pyrimidineFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 pyrroleFL
 saffron pyranoneFR
 salicylic acidCS
 sandalwood oilFL/FR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 thiazoleFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,4,5-trimethyl oxazoleFL
2,3,5-trimethyl pyrazineFL
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 chypre
 fern fougere
 nut walnut
natural occurrence in :    note
 not found in nature  

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