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thymyl methyl ether

Chemical Structure

General Material Information

Preferred name thymyl methyl ether
Trivial Name Thymol methyl ether
Short Description 1-methyl-3-methoxy-4-isopropylbenzene
Formula C11 H16 O
CAS Number 1076-56-8
FEMA Number 3436
Flavis Number 4.043
ECHA Number 214-063-9
FDA UNII VTE0C4390U
Nikkaji Number J217.197J
Beilstein Number 2042889
MDL MFCD01674973
COE Number 11245
NMR Predictor External link
JECFA Food Flavoring 1246 1-methyl-3-methoxy-4-isopropylbenzene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1076-56-8 ; 1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE
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-iso propyl-2-methoxy-4-methyl benzene
  • 1-iso propyl-2-methoxy-4-methylbenzene
  • 4-iso propyl-3-methoxytoluene
  • 2-iso propyl-5-methyl anisole
  • 2-iso propyl-5-methylanisole
  • 2-iso propyl-5-methylphenyl methyl ether
  • thymol methyl ether
  • 2-methoxy-4-methyl-1-propan-2-ylbenzene
  • 2-Methoxy-4-methyl-1-(1-methylethyl)benzene
  • 3-Methoxy-p-cymene
  • 4-Isopropyl-3-methoxytoluene
  • 2-Isopropyl-5-methylanisole
  • O-Methylthymol
  • 1-Isopropyl-2-methoxy-4-methylbenzene
  • NSC 404221
  • 1-Methyl-3-methoxy-4-isopropylbenzene
  • 2-Methoxy-4-methyl-1-(propan-2-yl)benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & 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
Publications by PubMed
In vitro and intracellular antioxidant capacity of thymyl methyl ether as a major component in Blumea lanceolaria (Roxb.) Druce leaf oil.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.24772644043
Specific gravity @ 25 °C
Pounds per Gallon 7.788 to 7.822
Refractive Index 1.504 to 1.508 @ 20 °C
Boiling Point 214 to 216°C @ 760 mm Hg
Boiling Point 94 to 96°C @ 15 mm Hg
Vapor Pressure 0.083 mmHg @ 25 °C
Flash Point TCC Value 91.67 °C TCC
logP (o/w) 4.347 est
Solubility
alcohol Yes
water, 21.57 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
woody, smoky, burnt
General comment At 1.00 % in dipropylene glycol. woody smoky burnt
Flavor Type: Musty
musty, green, earthy, coffee, beany
General comment Musty green earthy coffee beany

Occurrences

Potential Uses

Applications
Odor purposes Citrus, Cranberry, Gooseberry, Herbal, Marjoram, Spice, Thyme oil white replacer, Tobacco
Flavoring purposes Marjoram
Cosmetic purposes Perfuming agents

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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