methyl benzoxole
2-methyl-4,5-benzooxazole
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      95-21-6 2-Methylbenzoxazole
       
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    • Penta International Corporation
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      Product(s):
      13-28420 2-METHYLBENZOXAZOLE
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      M0557 2-Methylbenzoxole >99.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 95-21-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-399-9
FDA UNII: Z0P021V3TI
Nikkaji Web: J36.854G
Beilstein Number: 0112297
MDL: MFCD00005771
XlogP3-AA: 2.20 (est)
Molecular Weight: 133.14999000
Formula: C8 H7 N O
BioActivity Summary: listing
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: 1557  2-methyl-4,5-benzo-oxazole
DG SANTE Food Flavourings: 13.154  2-methyl-4,5-benzo-oxazole
FEMA Number: 4398 2-methyl-4,5-benzooxazole
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):95-21-6 ; 2-METHYL-4,5-BENZOXAZOLE
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Physical Properties:
Appearance: pale yellow to dark yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.10900 to 1.11500 @  25.00 °C.
Pounds per Gallon - (est).: 9.228 to  9.278
Refractive Index: 1.54400 to 1.55000 @  20.00 °C.
Melting Point: 8.00 to  10.00 °C. @ 760.00 mm Hg
Boiling Point: 199.00 to  201.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.458000 mmHg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 1.629 (est)
Soluble in:
 alcohol
 water, 1038 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: tobacco
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
Substantivity: 9 hour(s) at 0.10 % in dipropylene glycol
 
 tobacco  burnt  phenolic  meaty  powdery  capers  
Odor Description:
at 0.10 % in dipropylene glycol. 
tobacco burnt phenolic meaty powdery capers
Luebke, William tgsc, (2008)
 
 
Flavor Type: nutty
 
 nutty  hazelnut  tobacco  burnt  meaty  brothy  roasted  phenolic  
Taste Description:
nutty hazelnut tobacco burnt meaty brothy roasted phenolic
Luebke, William tgsc, (2008)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Methylbenzoxazole
Grau Aromatics
TABAXOL (2-METHYL-BENZOXAZOLE)
NI, Kosher
Penta International
2-METHYLBENZOXAZOLE
Santa Cruz Biotechnology
For experimental / research use only.
2-Methylbenzoxazole
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methylbenzoxole 99%
SRS Aromatics
TABAXOL
TCI AMERICA
For experimental / research use only.
2-Methylbenzoxole >99.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
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 36/37/39 - Wear suitable clothing, 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:
oral-mouse LD50  1100 mg/kg
Luebke, William tgsc, (2008)

intraperitoneal-mouse LD50  400 mg/kg
Luebke, William tgsc, (2008)

oral-mouse LD40  1100 mg/kg
Journal of the American Chemical Society. Vol. 67, Pg. 905, 1945.

intraperitoneal-mouse LD50  400 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl benzoxole usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.021 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 96 (μg/person/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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.400002.00000
beverages(nonalcoholic): 0.200001.00000
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.400002.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: 0.400002.00000
egg products: --
fats / oils: 0.200001.00000
fish products: 0.100000.40000
frozen dairy: 0.400002.00000
fruit ices: 0.400002.00000
gelatins / puddings: 1.000005.00000
granulated sugar: --
gravies: 1.000005.00000
hard candy: --
imitation dairy: 0.400002.00000
instant coffee / tea: --
jams / jellies: 1.000005.00000
meat products: 0.100000.40000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.100000.40000
processed fruits: 0.300001.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: 0.200001.00000
soft candy: --
soups: 0.200001.00000
sugar substitutes: --
sweet sauces: 0.200001.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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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 85: Consideration of miscellaneous nitrogen-containing substances evaluated by JECFA (65th meeting)[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 95-21-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7225
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1760
WGK Germany: 3
 2-methyl-1,3-benzoxazole
Chemidplus: 0000095216
RTECS: DM4850000 for cas# 95-21-6
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References:
 2-methyl-1,3-benzoxazole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 95-21-6
Pubchem (cid): 7225
Pubchem (sid): 134971725
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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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB32390
FooDB: FDB009816
Export Tariff Code: 2932.99.9090
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
7-methyl benzofuran 
2-methyl-6-propyl pyrazine 
amber
 ambrette seed absoluteFL/FR
animal
6-methyl quinolineFL/FR
balsamic
 amyl phenyl acetateFL/FR
bready
 furfuralFL/FR
cereal
 bran absoluteFR
floral
 boronia butenalFR
delta-damasconeFL/FR
ortho-methyl acetophenoneFL/FR
 tobacco flower absoluteFR
fruity
 allyl 2-ethyl butyrateFL/FR
alpha-amyl cinnamyl isovalerateFL/FR
 cyclohexanone diethyl acetalFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
fungal
 methyl 2-furoateFL/FR
hay
 beeswax absoluteFL/FR
 hay absoluteFR
 tobacco leaf absoluteFL/FR
 woodruff absoluteFR
 matricaria chamomilla flower oilFL/FR
 methyl nicotinateFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 theaspiraneFL/FR
 yerba mate absoluteFL/FR
honey
 phenyl acetic acidFL/FR
ketoisophoroneFL/FR
2,4,5-trimethyl oxazoleFL/FR
phenolic
 ethyl vanillateFL/FR
2'-hydroxyacetophenoneFL/FR
popcorn
2-acetyl pyridineFL/FR
N,N-diethyl octanamideFR
tobacco
para-cresyl isovalerateFL/FR
3-ethyl pyridineFL/FR
 tobacco concreteFR
(E,E/E,Z)-tobacco cyclohexenoneFL/FR
 veltonal (Bedoukian)FR
tonka
 deertongue absoluteFR
gamma-hexalactoneFL/FR
 mint lactoneFL/FR
 saffron resinoidFL/FR
 tonka undecanoneFR
tropical
 genet absoluteFL/FR
vanilla
 propenyl guaetholFL/FR
woody
 amber decatrieneFR
alpha-cedrene epoxideFR
isolongifolene ketoneFR
 tobacarol (IFF)FR
 tobacco noneneFR
 woody dioxolaneFR
 woody etherFR
 
For Flavor
 
No flavor group found for these
 amyl phenyl acetateFL/FR
 capsicum oleoresinFL
 cyclohexanone diethyl acetalFL/FR
 fig leaf absoluteFL
 methyl nicotinateFL/FR
2-propyl pyridineFL
beta-damasconeFL/FR
animal
6-methyl quinolineFL/FR
anisic
ortho-methyl acetophenoneFL/FR
astringent
2-methyl pyridineFL
brown
 beeswax absoluteFL/FR
 furfuralFL/FR
burnt
2-methyl-6-propyl pyrazine 
2,4,5-trimethyl oxazoleFL/FR
caramellic
3-ethyl pyridineFL/FR
 methyl 2-furoateFL/FR
chocolate
 chocolate hazelnut flavorFL
citrus
ketoisophoroneFL/FR
coffee
 methyl furfuryl thiolFL
cooling
 theaspiraneFL/FR
corn
2-acetyl pyridineFL/FR
creamy
 ethyl vanillateFL/FR
gamma-hexalactoneFL/FR
 mint lactoneFL/FR
earthy
7-methyl benzofuran 
ethereal
 allyl 2-ethyl butyrateFL/FR
floral
 phenyl acetic acidFL/FR
fruity
alpha-amyl cinnamyl isovalerateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
grassy
 tobacco leaf absoluteFL/FR
green
3-methyl pyridineFL
1-(5-methyl-2-furyl) propan-1-oneFL
hay
 genet absoluteFL/FR
herbal
 matricaria chamomilla flower oilFL/FR
 saffron indenoneFL/FR
 yerba mate absoluteFL/FR
meaty
 beef broth flavorFL
 chicken bone extractFL
 chicken broth flavorFL
 chicken extractFL
 meat broth concentratesFL
2-methyl-3-tetrahydrofuran thiolFL
 phenyl mercaptanFL
musty
2-ethoxythiazoleFL
naphthyl
2'-hydroxyacetophenoneFL/FR
nutty
 almond hazelnut flavorFL
2,5-diethyl-3-methyl pyrazineFL
2-ethyl-6-methyl pyrazineFL
 filbert flavorFL
(E,E/E,Z)-tobacco cyclohexenoneFL/FR
phenolic
para-cresyl isovalerateFL/FR
2-hydroxyisophoroneFL
spicy
 paprika oleoresinFL
sulfurous
3-pentane thiolFL
 roasted butanolFL
sweet
 saffron resinoidFL/FR
vanilla
 propenyl guaetholFL/FR
 vanilla hazelnut flavorFL
woody
 ambrette seed absoluteFL/FR
delta-damasconeFL/FR
 safranalFL/FR
 
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Potential Uses:
 floralFR
 tobaccoFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 bacon fried bacon
Search  PMC Picture
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Synonyms:
 benzoxazole, 2-methyl-
2-methyl benzoxazole
 methyl benzoxole
2-methyl-1,3-benzoxazole
2-methyl-4,5-benzo-oxazole
2-methyl-4,5-benzooxazole
2-methylbenzoxazol
2-methylbenzoxazole
 methylbenzoxole
 tabaxol (Grau)
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