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Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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
Luebke, William tgsc, (2008) |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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
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| Inhalation Toxicity: |
|
Not determined
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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 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 ppm | average maximum ppm |
| baked goods: | 0.40000 | 2.00000 |
| beverages(nonalcoholic): | 0.20000 | 1.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | 0.20000 | 1.00000 |
| cheese: | 0.40000 | 2.00000 |
| chewing gum: | - | - |
| condiments / relishes: | 0.20000 | 1.00000 |
| confectionery froastings: | 0.40000 | 2.00000 |
| egg products: | - | - |
| fats / oils: | 0.20000 | 1.00000 |
| fish products: | 0.10000 | 0.40000 |
| frozen dairy: | 0.40000 | 2.00000 |
| fruit ices: | 0.40000 | 2.00000 |
| gelatins / puddings: | 1.00000 | 5.00000 |
| granulated sugar: | - | - |
| gravies: | 1.00000 | 5.00000 |
| hard candy: | - | - |
| imitation dairy: | 0.40000 | 2.00000 |
| instant coffee / tea: | - | - |
| jams / jellies: | 1.00000 | 5.00000 |
| meat products: | 0.10000 | 0.40000 |
| milk products: | 0.40000 | 2.00000 |
| nut products: | - | - |
| other grains: | 0.20000 | 1.00000 |
| poultry: | 0.10000 | 0.40000 |
| processed fruits: | 0.30000 | 1.50000 |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.20000 | 1.00000 |
| snack foods: | 0.20000 | 1.00000 |
| soft candy: | - | - |
| soups: | 0.20000 | 1.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | 0.20000 | 1.00000 |
| |
| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 |
| Processed fruit (04.1): | 0.30000 | 1.50000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 0.40000 | 2.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 |
| Bakery wares (07.0): | 0.40000 | 2.00000 |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| 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:
Other Information:
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:
Occurrence (nature, food, other): note
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) |
Articles:
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3D/inchi
