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para-tolualdehyde
General Material Information
| Preferred name | para-tolualdehyde |
| Trivial Name | 4-Methylbenzaldehyde |
| Short Description | p-cresyl aldehyde |
| Formula | C8 H8 O |
| CAS Number | 104-87-0 |
| ECHA Number | 203-246-9 |
| FDA UNII | GAX22QZ28Q |
| Nikkaji Number | J5.036I |
| Beilstein Number | 0385772 |
| MDL | MFCD00006954 |
| COE Number | 115 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 4-methylbenzaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104-87-0 |
| Pubchem (cid): | 7725 |
| Pubchem (sid): | 134970670 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C06758 |
| HMDB (The Human Metabolome Database): | HMDB29638 |
| FooDB: | FDB000808 |
| Export Tariff Code: | 2912.29.3000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grades: technical; pure. | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 120.15096282959 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.421 to 8.471 |
| Refractive Index | 1.542 to 1.548 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.263 mmHg @ 25 °C |
| Vapor Density | 4.2 |
| Flash Point TCC Value | 80 °C TCC |
| logP (o/w) | 2.1 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 2270 mg/L @ 25 °C (exp) | Yes |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, cherry, phenolic | |
| Odor strength | high , recommend smelling in a 5.00 % solution or less |
| Substantivity | 120 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 5.00 % in dipropylene glycol. fruity cherry deep phenolic |
| Flavor Type: Spicy | |
| sweet, spicy, cinnamon, fruity, almond bitter almond | |
| Luebke, William tgsc, (1996) | Sweet spicy cinnamon fruity bitter almond |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic, Almond, Almond, Almond blossom, Berry jam, Blackberry, Bouquet, Cherry, Cherry black cherry, Cherry blossom, Crabapple blossom, Cranberry, Currant red currant, Frangipani plumeria, Fruit, Fruit juicy fruit, Hawthorn, Hay new mown hay, Heliotrope, Hibiscus, Lilac, Marigold, Mimosa, Mulberry, Papaya, Passion fruit, Pepper, Plum, Plum blossom, Powder, Sweet pea, Valerian, Vanilla |
| Flavoring purposes | Brandy cherry brandy, Cherry maraschino cherry, Cherry wild cherry, Chocolate cocoa, Fruit punch, Fruit tropical fruit, Licorice red licorice, Marigold, Brandy plum brandy, Tropical, Valerian |
| Other purposes | Fruit jam, Rose wild rose |
| Cosmetic purposes | Fragrance |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1600 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443 intraperitoneal-rat LD50 800 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443 oral-mouse LD50 3200 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443 intraperitoneal-mouse LD50 400 mg/kg BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER National Technical Information Service. Vol. OTS0533443 | |
| Dermal Toxicity: | |
| skin-rat LD50 2500 mg/kg National Technical Information Service. Vol. OTS0533443 | |
| Inhalation Toxicity: | |
| inhalation-rat LC > 2200 mg/m3 National Technical Information Service. Vol. OTS0533443 | |
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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA 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): | 160.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 9100 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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): | 15.03000 | 17.74000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 56.26000 | 111.20000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - | |
| Bakery wares (07.0): | 25.82000 | 33.56000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 9.91000 | 13.29000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 6.23000 | 12.70000 | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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): |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):104-87-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7725 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 4-methylbenzaldehyde |
| Chemidplus:0000104870 |
| RTECS:CU7034500 for cas# 104-87-0 |