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tetrahydrolinalool
General Material Information
| Preferred name | tetrahydrolinalool |
| Trivial Name | Tetrahydrolinalool |
| Short Description | 3,7-dimethyl-octan-3-ol |
| Formula | C10 H22 O |
| CAS Number | 78-69-3 |
| Deleted CAS Number | 57706-88-4 |
| FEMA Number | 3060 |
| ECHA Number | 201-133-9 |
| FDA UNII | UM4XS5M134 |
| Nikkaji Number | J354I |
| MDL | MFCD00004482 |
| COE Number | 77 |
| xLogP3-AA | 3.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 357 tetrahydrolinalool |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 78-69-3 ; TETRAHYDROLINALOOL |
| 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
| 3,7-dimethyloctan-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 78-69-3 |
| Pubchem (cid): | 6548 |
| Pubchem (sid): | 134970919 |
| Pherobase: | View |
| Publications by PubMed | |
| Chemistry around pinene and pinane: a facile synthesis of cyclobutanes and oxatricyclo-derivative of pinane from cis- and trans-pinanols. | |
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): | HMDB35246 |
| FooDB: | FDB013906 |
| Export Tariff Code: | 2905.19.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 158.28454589844 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.848 to 6.915 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.864 to 6.931 |
| Refractive Index | 1.432 to 1.436 @ 20 °C |
| Boiling Point | 71 to 73°C @ 6 mm Hg |
| Vapor Pressure | 0.115 mmHg @ 25 °C |
| Vapor Density | 5.5 |
| Flash Point TCC Value | 77.22 °C TCC |
| logP (o/w) | 3.485 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 | |
| alcohol | Yes |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 188.9 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| bath foam | Unspecified |
| bleach | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, lily, bois de rose, woody, lilac, tea, oily, fatty, citrus rind | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 100.00 %. floral lily bois de rose woody lilac tea oily |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 %. Floral linalool-like with a fatty citrus rind and tea like nuance |
| Flavor Type: Floral | |
| clean, fresh, floral, tea, citrus, herbal | |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 - 15.00 ppm. Clean and fresh, floral, tea-like with citrus and herbal nuances |
| General comment | Fresh, floreal, citrusy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond , Amber , Apple , Apricot , Balsam , Berry , Bluebell , Blueberry , Botanical , Bouquet , Cedar , Christmas , Chypre , Cilantro , Citrus , Coconut tropical coconut , Fern , Floral , Fresh and clean , Fresh outdoors , Fruit , Gardenia , Grape , Hawthorn , Hay new mown hay , Herbal , Jasmin , Lavender , Lemon , Lilac , Lily , Lily of the valley , Lotus , Lychee , Mandarin , Mint , Musk , Neroli , Oregano , Oriental , Peach , Pine , Pine forest , Potpourri , Rose , Sandalwood , Soapy sandalwood moss , Strawberry , Sweet grass , Tea green tea , Thyme oil white replacer , Tobacco , Woody |
| Flavoring purposes | Cilantro , Tea |
| Other purposes | Clean , Tide |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Acute aquatic toxicity (Category 2), H401 | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H315 - Causes skin irritation H319 - Causes serious eye irritation H401 - Toxic to aquatic life | |
| Precautionary statement(s) | |
| P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 909, 1979. oral-mouse LD50 4500 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 909, 1979. | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). | |||
| Recommendation for tetrahydrolinalool usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0200 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0005 mg/kg/day | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 47.00 (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: | - | 5.60000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.70000 | |
| fruit ices: | - | 2.70000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.60000 | |
| 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) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
| Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):78-69-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6548 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 3,7-dimethyloctan-3-ol |
| Chemidplus:0000078693 |
| RTECS:RH0905000 for cas# 78-69-3 |