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tolualdehyde isomers
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| Flavor Demo Formulas | ||
| CAS Number: | 1334-78-7 |  3D/inchi
|
| Other(deleted CASRN): | 8027-79-0 | |
| ECHA EINECS - REACH Pre-Reg: | 215-615-1 | |
| FDA UNII: | ALC105UA3K | |
| CoE Number: | 115 | |
| Molecular Weight: | 120.15096000 | |
| Formula: | C8 H8 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | ortho-tolualdehyde | |
| meta-tolualdehyde | ||
| para-tolualdehyde | ||
| EFSA/JECFA Comments: | At least 95% (sum of o,m,p-isomers) (EFSA) CASrn does not specify position of methyl substituent, "Incompletely Defined Substance". Composition of mixture to be specified. | |
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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 866 tolualdehydes (mixed o,m,p) |
| DG SANTE Food Flavourings: | 05.027 tolualdehydes (mixed o,m,p) |
| FEMA Number: | 3068 tolualdehydes (mixed o,m,p) |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1334-78-7 ; TOLUALDEHYDES (MIXED O-, M-, P-) |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Additional Assay Information: | sum of o,m,p isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01900 to 1.02900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.479 to 8.562 |
| Refractive Index: | 1.54000 @ 20.00 °C. |
| Boiling Point: | 198.00 to 201.00 °C. @ 760.00 mm Hg |
| Acid Value: | 5.00 max. KOH/g |
| Vapor Pressure: | 0.335000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 176.00 °F. TCC ( 80.00 °C. ) |
| logP (o/w): | 2.260 (est) |
| Soluble in: | |
| alcohol | |
| water, 1183 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| meta-tolualdehyde | |
| ortho-tolualdehyde | |
| para-tolualdehyde | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| sweet cherry chemical coumarinic powdery | |
| Odor Description: at 1.00 % in dipropylene glycol. | sweet cherry chemical coumarin powdery |
| sweet cherry chemical powdery coumarinic | |
| Odor Description: | Sweet, cherry and chemical with a powdery coumarin like nuance Mosciano, Gerard P&F 16, No. 1, 31, (1991) |
| Flavor Type: fruity | |
| cherry coumarinic almond sweet powdery hay vanilla | |
| Taste Description: at 15.00 ppm. | Cherry pit, coumarin, almond, sweet, with a slight powdery hay and vanilla like nuance Mosciano, Gerard P&F 16, No. 1, 31, (1991) |
| 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. |
| Benzaldehyde, methyl- |
| Citrus and Allied Essences |
| Tolualdehydes (mixed o,m,p) |
| Market Report |
| Tengzhou Xiang Yuan Aroma Chemicals |
| Tolualdehydes |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 2250 mg/kg (Moreno, 1973w) oral-rat LD50 2250 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 885, 1976. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | Dermal sensitization | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.085 % | |||
| Category 2: Products applied to the axillae | |||
| 0.025 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.51 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.47 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.12 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.12 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.12 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.12 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.28 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.96 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.96 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.050 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.92 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 3.30 % | |||
| Category 10B: Household aerosol/spray products | |||
| 3.30 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 1.80 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 1.80 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 230.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1100.00 (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: | - | 28.00000 | |
| beverages(nonalcoholic): | - | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 430.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 16.00000 | |
| fruit ices: | - | 16.00000 | |
| gelatins / puddings: | - | 8.30000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 25.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | 100.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf | |
| 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) 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 | |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted 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) (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 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1334-78-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0001334787 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1334-78-7 |
| Pubchem (sid): | 134979317 |
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 |
| HMDB (The Human Metabolome Database): | HMDB29638 |
| FooDB: | FDB010397 |
| VCF-Online: | VCF Volatile Compounds in Food |
Potential Blenders and core components note
Potential Uses:
| almond | FR | |
| cherry black cherry | FR | |
| cherry maraschino cherry | FL | |
| chocolate | FR | |
| heliotrope | FR | |
| powder | FR | |
| vanilla | FR |
Occurrence (nature, food, other): note
| beef Search PMC Picture | |
| cider Search PMC Picture | |
| coffee Search PMC Picture |
Synonyms:
| cresyl aldehyde (mixed 2,3,4) | |
| methyl benzaldehyde (mixed 2,3,4) | |
| tolualdehyde isomers | |
| tolualdehydes | |
| toluene carboxaldehyde (mixed 2,3,4) | |
| toluic aldehyde (mixed 2,3,4) | |
| tolyl aldehyde (mixed 2,3,4) |