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hydroxycitronellal
General Material Information
| Preferred name | hydroxycitronellal |
| Trivial Name | Hydroxycitronellal |
| Short Description | 3,7-dimethyl-7-hydroxyoctanal |
| Formula | C10 H20 O2 |
| CAS Number | 107-75-5 |
| Deleted CAS Number | 123238-75-5 |
| FEMA Number | 2583 |
| ECHA Number | 203-518-7 |
| FDA UNII | 8SQ0VA4YUR |
| Nikkaji Number | J2.859B |
| Beilstein Number | 1721290 |
| MDL | MFCD00014681 |
| COE Number | 100 |
| xLogP3-AA | 1.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 611 hydroxycitronellal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 107-75-5 ; HYDROXYCITRONELLAL |
| 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
| 7-hydroxy-3,7-dimethyloctanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 107-75-5 |
| Pubchem (cid): | 7888 |
| Pubchem (sid): | 134972585 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31739 |
| FooDB: | FDB008408 |
| Export Tariff Code: | 2912.30.0000 |
| Typical G.C. | |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Hydroxycitronellal |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.63 to 7.664 |
| Specific gravity | @ 15 °C |
| Pounds per Gallon | 7.713 to 7.754 |
| Refractive Index | 1.447 to 1.45 @ 20 °C |
| Boiling Point | 94 to 96°C @ 1 mm Hg |
| Acid Value | 3 max KOH/g |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Vapor Density | 5.9 |
| Flash Point TCC Value | 123.89 °C TCC |
| logP (o/w) | 1.654 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. |
| Solubility | |
| benzyl alcohol | Yes |
| essential oils | Yes |
| ethyl alcohol, 1 part 50% alcohol | Yes |
| ethyl alcohol, 1.5 vol of 50% alcohol | Yes |
| ethyl alcohol, 60% alcohol | Yes |
| fixed oils | Yes |
| paraffin oil, slightly | Yes |
| water, slightly | Yes |
| water, 3042 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| APC: 0.5 - 5% | Unspecified |
| candle: 0.5 - 5% | Unspecified |
| detergent: 0.5 - 5% | Unspecified |
| fine fragrances: 0.5 - 5% | Unspecified |
| shampoo: 0.5 - 5% | Unspecified |
| shower gel: 0.5 - 5% | Unspecified |
| soap: 0.5 - 5% | Unspecified |
| softener: | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, lily, sweet, green, waxy, tropical, melon, citrus | |
| Odor strength | medium |
| Substantivity | 218 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 100.00 %. floral lily sweet green waxy tropical melon |
| Mosciano, Gerard P&F 15, No. 2, 69, (1990) | Sweet floral perfume-like notes with green citrus and melon undertones |
| Flavor Type: Waxy | |
| sweet, waxy, green, floral, tropical, melon | |
| Luebke, William tgsc, (1982) | Sweet waxy green floral tropical melon |
| Mosciano, Gerard P&F 15, No. 2, 69, (1990) | At 50.00 ppm. Sweet, waxy, green with floral, tropical melon notes |
| General comment | Sweet waxy green floral tropical melon |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 41 - Risk of serious damage to eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 5 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 921, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 921, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
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 | |||
| IFRA fragrance material specification: | |||
| Should not be used such that the level in finished cosmetic products exceeds 1.0%. Based on a review of a large number of animal and human test data (IFRA guidelines). | |||
| 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 | |||
| 0.38 % | |||
| Category 2: Products applied to the axillae | |||
| 0.11 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 2.30 % | |||
| Category 4: Products related to fine fragrance | |||
| 2.10 % | |||
| 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 | |||
| 0.53 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.53 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.53 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.53 % | |||
| Category 6: Products with oral and lip exposure | |||
| 1.20 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 4.30 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 4.30 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.22 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 4.10 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 15.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 15.00 % | |||
| 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 | |||
| 8.20 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 8.20 % | |||
| 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): | 24.00 (μg/capita/day) | ||
| 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: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 3.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 16.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 13.00000 | |
| fruit ices: | - | 13.00000 | |
| gelatins / puddings: | - | 0.30000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.40000 | |
| 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 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| EPI System: View |
| Daily Med:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):107-75-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7888 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:1 |
| 7-hydroxy-3,7-dimethyloctanal |
| Chemidplus:0000107755 |
| RTECS:RG7850000 for cas# 107-75-5 |