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benzaldehyde
General Material Information
| Preferred name | benzaldehyde |
| Trivial Name | Benzaldehyde |
| Short Description | artificial bitter almond oil |
| Formula | C7 H6 O |
| CAS Number | 100-52-7 |
| FEMA Number | 2127 |
| Flavis Number | 5.013 |
| ECHA Number | 202-860-4 |
| FDA UNII | TA269SD04T |
| Nikkaji Number | J4.010J |
| Beilstein Number | 0471223 |
| MDL | MFCD00003299 |
| COE Number | 101 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 22 benzaldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 100-52-7 ; BENZALDEHYDE |
| 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
| benzaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 100-52-7 |
| Pubchem (cid): | 240 |
| Pubchem (sid): | 134972707 |
| Flavornet: | 100-52-7 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| KEGG (GenomeNet): | C00261 |
| HMDB (The Human Metabolome Database): | HMDB06115 |
| FooDB: | FDB014661 |
| YMDB (Yeast Metabolome Database): | YMDB01326 |
| Export Tariff Code: | 2912.21.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •benzaldehyde is commercially available in two grades. pure benzaldehyde, which is suitable for most uses, accounts for more than 95% of the amount sold. double-distilled benzaldehyde is used mainly in the pharmaceutical, perfume, and flavor industries . •cmpd benzaldehyde elixir nf. dissolve benzaldehyde (0.5 ml) & vanillin (1 g) in alcohol syrup orange flower water and purified water . •benzaldehyde fcc grade of benzaldehyde free from chlorine. •grades: technical; nf | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 106.1240234375 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.662 to 8.704 |
| Specific gravity | @ 15 °C |
| Pounds per Gallon | 8.747 to 8.797 |
| Refractive Index | 1.544 to 1.546 @ 20 °C |
| Melting Point | -26 to -25°C @ 760 mm Hg |
| Boiling Point | 62 to 63°C @ 10 mm Hg |
| Boiling Point | 178 to 179°C @ 760 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 1.27 mmHg @ 25 °C |
| Vapor Density | 3.7 |
| Flash Point TCC Value | 62.78 °C TCC |
| logP (o/w) | 1.48 |
| Shelf life | 18 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 | |
| ether | Yes |
| ethyl alcohol, 1:1-1::1.5 in 70% alcohol | Yes |
| ethyl alcohol, 1:2.5 in 60% alcohol | Yes |
| ethyl alcohol, 1:8 in 50% alcohol | Yes |
| ethyl alcohol, 5 vol. of 50% alcohol | Yes |
| kerosene | Yes |
| paraffin oil | Yes |
| water, 6570 mg/L @ 25 °C (exp) | Yes |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| sharp, sweet, bitter, almond, cherry, fruity, powdery, nutty, cherry maraschino cherry | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 10.00 % in dipropylene glycol. strong sharp sweet bitter almond cherry |
| Mosciano, Gerard P&F 19, No. 5, 79, (1994) | Almond, fruity, powdery, nutty and benzaldehyde-like |
| Flavor Type: Fruity | |
| fruity, cherry, cherry maraschino cherry, oily, nutty, woody, fruit tropical fruit, sweet, almond | |
| Luebke, William tgsc, (1982) | Fruity cherry maraschino cherry oily nutty woody tropical fruit |
| Mosciano, Gerard P&F 19, No. 5, 79, (1994) | At 50.00 ppm. Sweet, oily, almond, cherry, nutty and woody |
| Useful in: brown caramel, brown nuts, brown cocoa, brown coffee, brown others, dairy, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Bitter almond-like |
| General comment | Almond, sweet and spicy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Aldehydic, Almond, Almond blossom, Apple, Crabapple, Apple green apple, Apricot, Balsam, Berry, Blackberry, Bouquet, Bubble gum, Butter, Butterscotch, Cassia, Cherry, Cherry black cherry, Cherry blossom, Cinnamon, Citrus, Clove blossom, Coconut, Coconut tropical coconut, Coffee, Cranberry, Cream, Eglantine, Elder berry, Elder flower, Gooseberry, Heliotrope, Herbal, Hibiscus, Loganberry, Marigold, Mint, Mulberry, Myrtle oil replacer, Papaya, Passion blossom, Passion fruit, Peach, Pineapple, Plum, Plum blossom, Pomegranate, Quince, Raspberry, Saffron, Spice, Stephanotis, Strawberry, Vanilla, Violet |
| Flavoring purposes | Arrack, Beer, Brandy, Bread white bread, Cherry maraschino cherry, Cherry wild cherry, Grenadine, Marigold, Pecan, Pistachio, Potato chip, Rice, Tomato, Tropical, Walnut, Whiskey |
| Other purposes | A la mode, Rose wild rose, Topnotes |
| Cosmetic purposes | Denaturants, Fragrance, Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. 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) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 4), H302; Acute toxicity, Inhalation (Category 4), H332 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Respiratory sensitisation (Category 1), H334 Acute aquatic toxicity (Category 2), H401 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H302 + H332 - Harmful if swallowed or if inhaled H315 - Causes skin irritation H317 - May cause an allergic skin reaction H334 - May cause allergy or asthma symptoms or breathing difficulties if inhaled H401 - Toxic to aquatic life | |
| 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. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P285 - In case of inadequate ventilation wear respiratory 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 + P341 - IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. P330 - Rinse mouth. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P342 + P311 - IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. 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 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| gavage-guinea pig LD50 [sex: M,F] 1000 mg/kg (Jenner et al., 1964) gavage-rat LD50 [sex: M,F] 1300 mg/kg (Jenner et al., 1964) oral-rat LD50 2850 mg/kg (Sporn et al., 1967) gavage-rat LD50 [sex: M,F] 1300 mg/kg (Taylor et al., 1964) oral-guinea pig LD50 1000 mg/kg KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE BEHAVIORAL: TREMOR Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-mammal (species unspecified) LD50 2020 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. oral-rat LD50 1300 mg/kg BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-mouse LD50 28 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. intraperitoneal-mouse LD50 9 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: TREMOR European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. | |
| Dermal Toxicity: | |
| subcutaneous-rat LD50 5000 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Archives Internationales de Pharmacodynamie et de Therapie. Vol. 27, Pg. 163, 1922. subcutaneous-rabbit LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 693, 1976. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC > 500 mg/m3 SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974. inhalation-rat LC > 500 mg/m3 LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974. | |
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 and systemic toxicity | |||
| 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 | |||
| 0.045 % | |||
| Category 2: Products applied to the axillae | |||
| 0.014 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.27 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.25 % | |||
| 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 | |||
| 0.064 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.064 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.064 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.021 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.15 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.52 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.52 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.021 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.49 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.49 % | |||
| Category 10B: Household aerosol/spray products | |||
| 1.80 % | |||
| 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 | |||
| 0.021 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.021 % | |||
| 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): | 7900.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 36000.00 (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: | - | 110.00000 | |
| beverages(nonalcoholic): | - | 36.00000 | |
| beverages(alcoholic): | 50.00000 | 60.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 840.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 42.00000 | |
| fruit ices: | - | 42.00000 | |
| gelatins / puddings: | - | 160.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 120.00000 | |
| 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... |
| 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 |
| EPA-Iris:IRIS |
| Daily Med:search |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):100-52-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :240 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1990 |
| WGK Germany:2 |
| benzaldehyde |
| Chemidplus:0000100527 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:100-52-7 |