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

methyl benzoxole
2-methyl-4,5-benzooxazole

Supplier Sponsors

Name:2-methyl-1,3-benzoxazole
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
FLAVIS Number:13.154 (Old)
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
 
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
 
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)
Odor sample from: Sigma-Aldrich, Inc.: Aldrich
Flavor Type: nutty
nutty hazelnut tobacco burnt meaty brothy roasted phenolic
Taste Description: nutty hazelnut tobacco burnt meaty brothy roasted phenolic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
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)
 
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

intraperitoneal-mouse LD50 400 mg/kg

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
 
Safety in Use Information:
Category: flavor and fragrance agents
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
 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
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
 
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
 
References:
 2-methyl-1,3-benzoxazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:95-21-6
Pubchem (cid):7225
Pubchem (sid):134971725
 
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
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
 
Potential Blenders and core components note
For Odor
amber
ambrette seed absolute
FL/FR
animal
6-
methyl quinoline
FL/FR
balsamic
amyl phenyl acetate
FL/FR
bready
furfural
FL/FR
cereal
bran absolute
FR
floral
boronia butenal
FR
delta-
damascone
FL/FR
ortho-
methyl acetophenone
FL/FR
tobacco flower absolute
FR
fruity
allyl 2-ethyl butyrate
FL/FR
alpha-
amyl cinnamyl isovalerate
FL/FR
cyclohexanone diethyl acetal
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
fungal
methyl 2-furoate
FL/FR
hay
beeswax absolute
FL/FR
hay absolute
FR
tobacco leaf absolute
FL/FR
woodruff absolute
FR
herbal
matricaria chamomilla flower oil
FL/FR
methyl nicotinate
FL/FR
saffron indenone
FL/FR
safranal
FL/FR
theaspirane
FL/FR
yerba mate absolute
FL/FR
honey
phenyl acetic acid
FL/FR
musty
ketoiso
phorone
FL/FR
nutty
2,4,5-
trimethyl oxazole
FL/FR
phenolic
ethyl vanillate
FL/FR
2'-
hydroxyacetophenone
FL/FR
popcorn
2-
acetyl pyridine
FL/FR
spicy
N,N-
diethyl octanamide
FR
tobacco
para-
cresyl isovalerate
FL/FR
3-
ethyl pyridine
FL/FR
tobacco concrete
FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
veltonal (Bedoukian)
FR
tonka
deertongue absolute
FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
saffron resinoid
FL/FR
tonka undecanone
FR
tropical
genet absolute
FL/FR
vanilla
propenyl guaethol
FL/FR
woody
amber decatriene
FR
alpha-
cedrene epoxide
FR
iso
longifolene ketone
FR
tobacarol (IFF)
FR
tobacco nonene
FR
woody dioxolane
FR
woody ether
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
capsicum oleoresin
FL
cyclohexanone diethyl acetal
FL/FR
fig leaf absolute
FL
methyl nicotinate
FL/FR
2-
propyl pyridine
FL
beta-
damascone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
anisic
ortho-
methyl acetophenone
FL/FR
astringent
2-
methyl pyridine
FL
brown
beeswax absolute
FL/FR
furfural
FL/FR
burnt
2,4,5-
trimethyl oxazole
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
methyl 2-furoate
FL/FR
chocolate
chocolate hazelnut flavor
FL
citrus
ketoiso
phorone
FL/FR
coffee
methyl furfuryl thiol
FL
cooling
theaspirane
FL/FR
corn
2-
acetyl pyridine
FL/FR
creamy
ethyl vanillate
FL/FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
ethereal
allyl 2-ethyl butyrate
FL/FR
floral
phenyl acetic acid
FL/FR
fruity
alpha-
amyl cinnamyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
3-
methyl pyridine
FL
1-(5-
methyl-2-furyl) propan-1-one
FL
hay
genet absolute
FL/FR
herbal
matricaria chamomilla flower oil
FL/FR
saffron indenone
FL/FR
yerba mate absolute
FL/FR
meaty
beef broth flavor
FL
chicken bone extract
FL
chicken broth flavor
FL
chicken extract
FL
meat broth concentrates
FL
2-
methyl-3-tetrahydrofuran thiol
FL
phenyl mercaptan
FL
musty
2-
ethoxythiazole
FL
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
almond hazelnut flavor
FL
2,5-
diethyl-3-methyl pyrazine
FL
2-
ethyl-6-methyl pyrazine
FL
filbert flavor
FL
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
phenolic
para-
cresyl isovalerate
FL/FR
2-
hydroxyisophorone
FL
spicy
paprika oleoresin
FL
sulfurous
3-
pentane thiol
FL
roasted butanol
FL
sweet
saffron resinoid
FL/FR
vanilla
propenyl guaethol
FL/FR
vanilla hazelnut flavor
FL
woody
ambrette seed absolute
FL/FR
delta-
damascone
FL/FR
safranal
FL/FR
 
Potential Uses:
FRfloral
FRtobacco
 
Occurrence (nature, food, other):note
 bacon fried bacon
Search PMC Picture
 
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)
 
 
Notes:
Used as a food additive [EAFUS]
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