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

thymyl methyl ether
1-methyl-3-methoxy-4-isopropylbenzene

Sponsors

Name:2-methoxy-4-methyl-1-propan-2-ylbenzene
CAS Number: 1076-56-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-063-9
FDA UNII:VTE0C4390U
Nikkaji Web:J217.197J
Beilstein Number:2042889
MDL:MFCD01674973
CoE Number:11245
XlogP3:3.80 (est)
Molecular Weight:164.24772000
Formula:C11 H16 O
NMR Predictor:Predict (works with chrome or firefox)
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1246 1-methyl-3-methoxy-4-isopropylbenzene
FLAVIS Number:04.043 (Old)
DG SANTE Food Flavourings:04.043 1-isopropyl-2-methoxy-4-methylbenzene
FEMA Number:3436 1-methyl-3-methoxy-4-isopropylbenzene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93600 to 0.94000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.788 to 7.822
Refractive Index:1.50400 to 1.50800 @ 20.00 °C.
Boiling Point: 214.00 to 216.00 °C. @ 760.00 mm Hg
Boiling Point: 94.00 to 96.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.083000 mm/Hg @ 25.00 °C. (est)
Flash Point: 197.00 °F. TCC ( 91.67 °C. )
logP (o/w): 4.347 (est)
Soluble in:
 alcohol
 water, 21.57 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
woody smoky burnt
Odor Description:at 1.00 % in dipropylene glycol. woody smoky burnt
Flavor Type: musty
musty green earthy coffee beany
Taste Description: musty green earthy coffee beany
Odor and/or flavor descriptions from others (if found).
Frutarom
THYMOL METHYL ETHER
Odor Description:Citrus, Green, Herbal, Spicy
Suggested Uses: Citrus Fruits, Cranberry, Tobacco
Alfrebro
THYMOL METHYL ETHER
Odor Description:Woody, Smoky, Slightly Burnt
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
THYMOL METHYL ETHER
Odor: Woody, Smoky, Slightly Burnt
BOC Sciences
For experimental / research use only.
Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-
Charkit Chemical
THYMOL METHYL ETHER T0510 FEMA 3436
Frutarom
THYMOL METHYL ETHER
Odor: Citrus, Green, Herbal, Spicy
Use: Suggested Uses: Citrus Fruits, Cranberry, Tobacco
M&U International
THYMOL METHYL ETHER, Kosher
Moellhausen
METHYL THYMOL
Odor: aromatic, herbal, slightly phenolic; somewhat reminiscent of green roots
Penta International
1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE, Kosher, Halal
Sigma-Aldrich
1-Methyl-3-methoxy-4-isopropylbenzene, 98%
Odor: chocolate; musty; nutty; herbaceous; vegetable; earthy; green; coffee; spicy
Certified Food Grade Products
Taytonn
Thymol Methyl Ether
Odor: Citrus, Green, Herbal/ Herbaceous, Spicy
TCI AMERICA
For experimental / research use only.
2-Isopropyl-5-methylanisole >96.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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.
 
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:
intravenous-dog LDLo 1850 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Therapie. Vol. 3, Pg. 109, 1948.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for thymyl methyl ether usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Structure Class: I
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: 8
 average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -2.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -2.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000
View page or View pdf

Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010)
View page or View pdf

Scientific Opinion on the safety and efficacy of aromatic ethers including anisole derivatives (chemical group 26) when used as feed additives for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1076-56-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14104
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methoxy-4-methyl-1-propan-2-ylbenzene
Chemidplus:0001076568
RTECS:BZ8770000 for cas# 1076-56-8
 
References:
 2-methoxy-4-methyl-1-propan-2-ylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1076-56-8
Pubchem (cid):14104
Pubchem (sid):134980439
Pherobase:View
 
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 Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB35989
FooDB:FDB014797
Export Tariff Code:2909.30.6000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
gentiana lutea root extract
FL/FR
para-
menth-1-en-9-al
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
cheesy
2-
heptanone
FL/FR
citrus
2-
heptanol
FL/FR
earthy
3-
octen-2-one
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
green
carrot leaf oil (daucus carota ssp.maximus)
FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
privet dioxane
FR
herbal
coriander seed concrete
FR
T-
muurolol
FL/FR
1-
octen-3-yl acetate
FL/FR
origanum oil
FL/FR
safranal
FL/FR
white
thyme oil
FL/FR
thyme oil CO2 extract spain
FL/FR
red
thyme oil spain
FL/FR
thyme oil wild or creeping pakistan
FL/FR
thyme undecane
FR
licorice
glycyrrhiza glabra root extract
FL/FR
nutty
2-
methyl-3-propyl pyrazine
FL/FR
smoky
birch tar oil
FL/FR
cade oil
FR
cade oil replacer
FR
propyl paraben
CS
pyroligneous acids
FL/FR
spicy
iso
butyl (E,E)-2,4-decadienamide
FL/FR
carvacryl ethyl ether
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
(-)-
cubenol
FL/FR
black
currant bud absolute
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil cuba
FL/FR
waxy
2-
nonanol
FL/FR
woody
patchouli absolute
FR
thyme oil portuguese
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
birch tar oil
FL/FR
iso
butyl (E,E)-2,4-decadienamide
FL/FR
carvacryl ethyl ether
FL/FR
fleabane oil (erigeron canadensis)
FL
para-
menth-1-en-9-al
FL/FR
1-
methyl pyrrole
FL
T-
muurolol
FL/FR
hexyl 3-mercaptobutanoate
FL
cheesy
cheesy
2-
heptanone
FL/FR
coffee
coffee distillates
FL
creamy
3-
octen-2-one
FL/FR
earthy
2-
methyl-3-propyl pyrazine
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
fruity
2-
heptanol
FL/FR
green
gentiana lutea root extract
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
3-
methyl pyridine
FL
1-
octen-3-yl acetate
FL/FR
propylene glycol acetone ketal
FL
herbal
origanum majorana oil
FL/FR
origanum oil
FL/FR
white
thyme oil
FL/FR
thyme oil CO2 extract spain
FL/FR
red
thyme oil spain
FL/FR
thyme oil wild or creeping pakistan
FL/FR
licorice
glycyrrhiza glabra root extract
FL/FR
smoky
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
dextro-
xylose
FL
spicy
cinnamaldehyde dimethyl acetal
FL/FR
(-)-
cubenol
FL/FR
black
currant bud absolute
FL/FR
origanum majorana oil cuba
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
2-
nonanol
FL/FR
woody
safranal
FL/FR
 
Potential Uses:
FRcitrus
FRcranberry
FRgooseberry
FRherbal
FL/FRmarjoram
FRspice
FRthyme oil white replacer
FRtobacco
 
Occurrence (nature, food, other):note
 basil plant
Search Trop Picture
 cascarilla bark oil @ 0.02%
Data GC Search Trop Picture
 chenopodium ambrosioides oil @ 2.8%
Data GC Search Trop Picture
 coffee
Search PMC Picture
 crithmum maritimum l. oil turkey @ 0.30%
Data GC Search Trop Picture
 croton flavens l. (welensali) leaf oil curacao @ trace%
Data GC Search Trop Picture
 fennel sea fennel
Search Trop Picture
 lavender oil france @ trace%
Data GC Search Trop Picture
 lime fruit
Search Trop Picture
 lippia aff. gracillis h.b.k. leaf oil brazil @ 6.00%
Data GC Search Trop Picture
 mandarin fruit
Search Trop Picture
 oregano plant
Search Trop Picture
 oregano shoot
Search Trop Picture
 oregano shoot oil
Search Trop Picture
 potato fried potato
Search Trop Picture
 snake root oil canada @ trace%
Data GC Search Trop Picture
 thyme oil red CO2 extract @ 0.32%
Data GC Search Trop Picture
 thyme oil red spain @ 1.43-1.52%
Data GC Search Trop Picture
 thyme plant
Search Trop Picture
 thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 12.40%
Data GC Search Trop Picture
 valerian root oil @ trace-0.4%
Data GC Search Trop Picture
 valerian root oil china @ 0.28%
Data GC Search Trop Picture
 
Synonyms:
 anisole, 2-isopropyl-5-methyl-
 benzene, 2-methoxy-4-methyl-1- (1-methylethyl)-
 benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-
 ether, methyl thymyl
2-methoxy-4-methyl-1-(1-methyl ethyl) benzene
2-methoxy-4-methyl-1-(1-methylethyl)-benzene
2-methoxy-4-methyl-1-(1-methylethyl)benzene
2-methoxy-4-methyl-1-(propan-2-yl)benzene
2-methoxy-4-methyl-1-propan-2-ylbenzene
3-methoxy-p-cymene
3-methoxy-para-cymene
 methyl 5-methyl-2-(propan-2-yl)phenyl ether
 methyl thymol
o-methyl thymol
ortho-methyl thymol
 methyl thymol ether
 methyl thymyl ether
1-methyl-3-methoxy-4-isopropyl benzene
1-methyl-3-methoxy-4-isopropylbenzene
o-methylthymol
ortho-methylthymol
 methylthymol, o-
1-isopropyl-2-methoxy-4-methyl benzene
1-isopropyl-2-methoxy-4-methylbenzene
4-isopropyl-3-methoxytoluene
2-isopropyl-5-methyl anisole
2-isopropyl-5-methylanisole
2-isopropyl-5-methylphenyl methyl ether
 thymol methyl ether
 thymyl methyl ether
 
 
Notes:
Naturally occurring, e.g. in oil of sea fennel (Crithmum maritimum) and Citrus spp.
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