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

coconut naphthalenone
7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone

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Fragrance Demo Formulas
Flavor Demo Formulas
Name:7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CAS Number: 34545-88-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:252-079-8
FDA UNII:4TIV4S045F
Nikkaji Web:J250.912A
CoE Number:7136
XlogP3-AA:1.50 (est)
Molecular Weight:162.23178000
Formula:C11 H14 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2014). Name to be changed to: 4,4a,5,6-Tetrahydro-7-methylnaphthalen-2(3H)-one
Category:flavor and 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
JECFA Food Flavoring:1405 7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
FLAVIS Number:07.136 (Old)
DG SANTE Food Flavourings:07.136 4,4a,5,6-tetrahydro-7-methylnaphthalen-2(3H)-one
FEMA Number:3715 7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):34545-88-5 ; 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE
 
Physical Properties:
Appearance:white crystalline powder (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 36.00 to 37.00 °C. @ 760.00 mm Hg
Boiling Point: 305.00 to 306.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 250.00 °F. TCC ( 121.11 °C. )
logP (o/w): 2.220 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water
 water, 174.7 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: coconut
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
toasted coconut tonka
Odor Description:at 10.00 % in dipropylene glycol. toasted coconut tonka
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
7-METHYL-4,4A-5,6-TETRAHYDRO-2(3H)NAPHTHALENONE 95%
Parchem
coconut naphthalenone
Penta International
7-METHYL-4,4a-5,6-TETRAHYDRO-2(3H)NAPHALENONE
R C Treatt & Co Ltd
7-Methyl-4,4a,5,6-tetrahydro-2(3,4)naphthalenone
Kosher
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for coconut naphthalenone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.04 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: -2.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: -1.00000
imitation dairy: -0.50000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: -0.50000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61935
National Institute of Allergy and Infectious Diseases:Data
7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
Chemidplus:0034545885
 
References:
 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34545-88-5
Pubchem (cid):61935
Pubchem (sid):135018498
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB39803
FooDB:FDB019453
Export Tariff Code:2914.39.0000
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
caramellic
immortelle absolute
FL/FR
cheesy
2-
heptanone
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coconut decanone methyl
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
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
green
alpha-
decalactone
FL/FR
syringaldehyde
FL/FR
hay
hay absolute
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 concrete
FR
deertongue oleoresin
FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
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
coumane
FL/FR
alpha-
decalactone
FL/FR
dimethyl benzofuranone
FL
delta-2-
dodecenolactone
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
massoia bark oil
FL
myristyl alcohol
FL/FR
pine needle absolute
FL/FR
propyl octanoate
FL/FR
tonka furanone
FL/FR
(R)-
tonka furanone
FL
wine lactone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
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
alpha-
angelica lactone
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
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
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
green
immortelle absolute
FL/FR
methyl heptadienone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
minty
myrtenal
FL/FR
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:
FRcoconut
FLdairy
FRtonka bean
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 kumarone (IFF)
7-methyl-4,4a-5,6-tetrahydro-2(3H)naphalenone
7-methyl-4,4a,5,6-tetrahydro-2(3,4)naphthalenone
7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphalenone
7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
7-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
2(3H)-naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
4,4a,5,6-tetrahydro-7-methyl naphthalene-2(3H)-one
4,4a,5,6-tetrahydro-7-methyl-2(3H)-naphthalenone
4,4a,5,6-tetrahydro-7-methylnaphthalen-2(3H)-one
4,4a,5,6-tetrahydro-7-methylnaphthalene-2(3H)-one
 
 
Notes:
Used as a food additive [EAFUS]
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