| Name: | (2-methylphenyl)methanediol; propane-1,2,3-triol |
| CAS Number: | 1333-09-1 | 3D/inchi
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| FDA UNII: | Search |
| CoE Number: | 46 |
| Molecular Weight: | 230.26046000 |
| Formula: | C11 H18 O5 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| 40% 5-hydroxydioxane; 60% 5-hydroxymethyldioxalane. (EFSA)
CASrn refers to named substance. Stereoisomeric composition and composition of mixture to be specified. |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear viscous liquid (est) |
| Assay: | 95.00 to 100.00 sum of isomers
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| Additional Assay Information: | sum of o,m,p isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 292.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 160.00 °C. @ 10.00 mm Hg
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| Acid Value: | 1.00 max. KOH/g
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| Vapor Pressure: | 0.010100 mmHg @ 25.00 °C. (est) |
| Flash Point: | 249.00 °F. TCC ( 120.56 °C. )
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| logP (o/w): | 0.467 (est) |
| Soluble in: |
| | alcohol | | | water, slightly | | | water, 1.535e+005 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: fruity |
| almond bitter almond |
| Odor Description:at 10.00 % in dipropylene glycol. mild bitter almond |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
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| 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 |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Human Experience: |
| 10 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 3400 mg/kg (Moreno, 1972i)
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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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 tolualdehyde glyceryl acetal usage levels up to: | | | 0.5000 % in the fragrance concentrate.
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| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (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: 3 |
| Click here to view publication 3 |
| | average usual ppm | average maximum ppm |
| baked goods: | 12.00000 | 15.00000 |
| beverages(nonalcoholic): | 0.08000 | 6.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | 6.00000 | 8.00000 |
| fruit ices: | 6.00000 | 8.00000 |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 12.00000 | 15.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | - |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf
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Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the 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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf
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Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6451245 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2-methylphenyl)methanediol; propane-1,2,3-triol |
| Chemidplus:0001333091 |
References:
Other Information:
Potential Blenders and core components note
| For Odor |
| almond |
bitter almond oil replacer FL/FR |
| anisic |
ortho- acetanisole FL/FR |
ortho- anisaldehyde FL/FR |
| balsamic |
2- acetyl furan FL/FR |
benzyl cinnamate FL/FR |
methyl (E)-cinnamate FL/FR |
methyl cinnamate FL/FR |
| berry |
wild berry fragrance FR |
raspberry ketone methyl ether FL/FR |
| bready |
furfural FL/FR |
| buttery |
3,4- hexane dione FL/FR |
| camphoreous |
butyrophenone FL/FR |
| caramellic |
geranyl crotonate FR |
| chocolate |
chocolate cherry fragrance FR |
chocolate pyrazine A FL/FR |
2- methoxy-3-methyl pyrazine FL/FR |
| ethereal |
cyclohexyl formate FL/FR |
| floral |
acetophenone FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
stephanotis flower absolute replacer FR |
para- tolualdehyde propylene glycol acetal FL/FR |
| fruity |
allyl 2-ethyl butyrate FL/FR |
allyl benzoate FR |
allyl isovalerate FL/FR |
almond fragrance FR |
bitter almond oil FL/FR |
almond specialty FR |
iso amyl 2-methyl butyrate FL/FR |
amyl butyrate FL/FR |
para- anisyl propionate FL/FR |
apricot almond fragrance FR |
benzaldehyde FL/FR |
benzaldehyde / methyl anthranilate schiff's base FR |
benzaldehyde glycrol acetal FL/FR |
2- benzofuran carboxaldehyde FL/FR |
bread thiophene FL/FR |
cherry fragrance FR |
black cherry fragrance FR |
sour cherry fragrance FR |
wild cherry fragrance FR |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cyclohexyl cinnamate FL/FR |
4- ethyl benzaldehyde FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
heptyl isobutyrate FL/FR |
4- hydroxybenzyl alcohol FL/FR |
3- methyl-2-butenal FL/FR |
prunus cerasus fruit oil CO2 extract FL/FR |
para- tolualdehyde FL/FR |
meta- tolualdehyde FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
| green |
benzaldehyde dimethyl acetal FL/FR |
(Z)-2- penten-1-ol FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
| herbal |
laevo- perillaldehyde FL/FR |
| honey |
methyl phenyl acetate FL/FR |
phenyl pyruvic acid FL/FR |
| minty |
methyl 5-methyl salicylate FR |
| naphthyl |
2,4- dimethyl benzaldehyde FL/FR |
| nutty |
3,5- cocoa pyrazine FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-ethoxypyrazine FL/FR |
nutty cyclohexenone FL/FR |
| phenolic |
2'- hydroxyacetophenone FL/FR |
methyl benzoate FL/FR |
| powdery |
para- anisyl acetate FL/FR |
dibenzyl ketone FL/FR |
| spicy |
cinnamyl isovalerate FL/FR |
cinnamyl propionate FL/FR |
para- methoxycinnamaldehyde FL/FR |
(E)-para- methoxycinnamaldehyde FL/FR |
| For Flavor |
| No flavor group found for these |
para- anisyl propionate FL/FR |
butyrophenone FL/FR |
chocolate pyrazine A FL/FR |
chocolate pyrazine B FL |
ethyl 2-phenyl-3-furoate FL |
4- ethyl benzaldehyde FL/FR |
5- ethyl-2-thiophene carboxaldehyde FL |
2- hexenal FL |
(E)-para- methoxycinnamaldehyde FL/FR |
methyl (E)-cinnamate FL/FR |
methyl furfuracrylate FL |
4- methyl salicylaldehyde FL |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-ethoxypyrazine FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
para- tolualdehyde propylene glycol acetal FL/FR |
| almond |
| almond |
bitter almond oil replacer FL/FR |
| anisic |
ortho- anisaldehyde FL/FR |
| aromatic |
laevo- perillaldehyde FL/FR |
| berry |
heptyl isobutyrate FL/FR |
raspberry ketone methyl ether FL/FR |
| bitter |
dibenzyl ketone FL/FR |
| brown |
furfural FL/FR |
| buttery |
3,4- hexane dione FL/FR |
| cherry |
para- methoxycinnamaldehyde FL/FR |
| ethereal |
allyl 2-ethyl butyrate FL/FR |
| floral |
cinnamyl propionate FL/FR |
methyl phenyl acetate FL/FR |
| fruity |
allyl isovalerate FL/FR |
bitter almond oil FL/FR |
iso amyl 2-methyl butyrate FL/FR |
amyl butyrate FL/FR |
para- anisyl acetate FL/FR |
benzaldehyde FL/FR |
benzaldehyde glycrol acetal FL/FR |
bread thiophene FL/FR |
cherry laurel oil FL |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cinnamyl isovalerate FL/FR |
cyclohexyl cinnamate FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
2,4- hexadien-1-ol FL |
4- hydroxybenzyl alcohol FL/FR |
3- methyl-2-butenal FL/FR |
prunus cerasus fruit oil CO2 extract FL/FR |
meta- tolualdehyde FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
| green |
benzaldehyde dimethyl acetal FL/FR |
cyclohexyl formate FL/FR |
(Z)-2- penten-1-ol FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
| naphthyl |
2,4- dimethyl benzaldehyde FL/FR |
2'- hydroxyacetophenone FL/FR |
| nutty |
2- acetyl furan FL/FR |
2- benzofuran carboxaldehyde FL/FR |
3,5(6)- cocoa pyrazine FL |
3,5- cocoa pyrazine FL/FR |
2- methoxy-3-methyl pyrazine FL/FR |
nutty cyclohexenone FL/FR |
| phenolic |
methyl benzoate FL/FR |
phenyl pyruvic acid FL/FR |
| powdery |
ortho- acetanisole FL/FR |
acetophenone FL/FR |
powdery ketone FL |
| spicy |
benzyl cinnamate FL/FR |
methyl cinnamate FL/FR |
para- tolualdehyde FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2-ortho,meta,para- | cresyl-5-hydroxydioxane | | p- | cresyl-5-hydroxydioxane | | 2-ortho,meta,para- | cresyl-5-hydroxymethyl dioxolane | | 2-o,m,p- | cresyl-5-hydroxymethyldioxolane | | 2-ortho,meta,para- | cresyl-5-hydroxymethyldioxolane | | (2- | methylphenyl)methanediol; propane-1,2,3-triol | | 1,2,3- | propane triol cyclic ether with (2-methyl phenyl) methane diol | | 1,2,3- | propanetriol cyclic ether with (2-methylphenyl)methanediol | | 1,2,3- | propanetriol, cyclic ether with (2-methylphenyl)methanediol | | | tolualdehyde glyceryl acetal (mixed isomers) | | | tolyl aldehyde glyceryl acetal |
Articles:
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