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nerol
General Material Information
| Preferred name | nerol |
| Trivial Name | Nerol |
| Short Description | 2,6-octadien-1-ol, 3,7-dimethyl-, (2Z)- |
| Formula | C10 H18 O |
| CAS Number | 106-25-2 |
| FEMA Number | 2770 |
| ECHA Number | 203-378-7 |
| FDA UNII | 38G5P53250 |
| Nikkaji Number | J3.241G |
| Beilstein Number | 1722455 |
| MDL | MFCD00063204 |
| COE Number | 2018 |
| xLogP3-AA | 2.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1224 nerol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 106-25-2 ; NEROL |
| 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
| (2Z)-3,7-dimethylocta-2,6-dien-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 106-25-2 |
| Pubchem (cid): | 643820 |
| Pubchem (sid): | 134971628 |
| Flavornet: | 106-25-2 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09871 |
| HMDB (The Human Metabolome Database): | HMDB05812 |
| FooDB: | FDB014945 |
| YMDB (Yeast Metabolome Database): | YMDB01760 |
| Export Tariff Code: | 2905.22.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •hercon japanese beetle food lure; active ingredient 9.84% 2-phenylethyl propionate, 23.0% eugenol, 4.84% geraniol •lure n kill japanese beetle; active ingredient 9.84% 2-phenylethyl propionate, 23.0% eugenol, 0.47% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 9.84% geraniol •bag-a-bug japanese beetle trap; active ingredient 0.84% 2-phenylethyl propionate, 23.0% eugenol, 0.47% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 2.84% geraniol •japanese beetle combo bait; active ingredient 9.43% 2-phenylethyl propionate, 21.98& eugenol, 0.02% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 9.43% geraniol •japanese beetle bait ii; active ingredient 9.50% 2-phenylethyl propionate, 22.25% eugenol, 0.133% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 9.50% geraniol •trece japanese beetle trap; active ingredient 9.50% 2-phenylethyl propionate, 22.25% eugenol, 0.133% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 9.50% geraniol •surefire japanese beetle trap; active ingredient 10.698% 2-phenylethyl propionate, 25.233% eugenol, 0.017% (r,z)-5-(1-decenyl)dihydro-2(3h)-furanone, 10.698% geraniol •scent-off twist-ons and scent-off pellets; active ingredient 0.20% allyl isothiocyanate, 1.20% oil of citronella, 2.00% oil of lemongrass, 0.02% oil of orange, 0.02% methyl salicylate, 0.11% bergamot oil, 0.01% alpha-ionone, 0.04% geraniol •biomite; active ingredient 0.167% farnesol, 0.417% nerolidol, 0.417% 3,7-dimethyl-6-octen-1-ol, 0.417% geraniol •grade: standard; soap; synthetic; fcc; eoa. •commercial product contains 88% minimum geraniol. ester content is not more than 1% (as geranyl acetate). aldehyde content is not more than 1% (as citronellol). from table | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 154.2526550293 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.281 to 7.347 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.298 to 7.364 |
| Refractive Index | 1.467 to 1.478 @ 20 °C |
| Boiling Point | 103 to 105°C @ 9 mm Hg |
| Boiling Point | 225 to 227°C @ 760 mm Hg |
| Vapor Pressure | 0.013 mmHg @ 25 °C |
| Vapor Density | 5.3 |
| Flash Point TCC Value | 107.78 °C TCC |
| logP (o/w) | 3.47 |
| 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 |
| paraffin oil | Yes |
| water, 255.8 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, natural, neroli, citrus, magnolia, fresh, floral, green, lemon, lime, waxy, spicy | |
| Odor strength | medium |
| Substantivity | 44 hour(s) at 100.00 % |
| Luebke, William tgsc, (1981) | At 100.00 %. sweet natural neroli citrus magnolia |
| Mosciano, Gerard P&F 20, No. 2, 37, (1995) | Fresh, citrus, floral, green, sweet, lemon/lime and waxy with a spicy depth |
| Flavor Type: Citrus | |
| lemon, bitter, green, fruity, terpenic | |
| Mosciano, Gerard P&F 20, No. 2, 37, (1995) | Lemon, bitter, green and fruity with a terpy nuance |
| Used in a wide variety of flavors such as raspberry, blueberry, lemon, lime, orange and other citrus flavors for a fresh 'natural' sweet odor and taste. | Citrus |
| General comment | Sweet, floreal, fruity, pear, lemon |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Bergamot, Bois de rose, Carnation, Champaca, Citronella, Citrus, Clary sage oil replacer, Currant, Cyclamen, Florida breeze, Immortelle, Jasmin, Lavandin, Lavender, Lemongrass, Lilac, Lily of the valley, Linaloe wood, Linden flower, Lychee, Magnolia, Mango, Mimosa, Myrrh, Myrtle oil replacer, Narcissus, Neroli, Ocean sea, Ocean sea shell, Orange blossom, Orchid, Peony, Petitgrain, Petitgrain bergamot petitgrain, Raspberry, Rose, Rose red rose, Rose tea rose, Rose white rose, Sea breeze, Strawberry, Sweet pea, Tea green tea, Tuberose, Wallflower, Ylang ylang |
| Flavoring purposes | Immortelle, Linaloe wood, Petitgrain bergamot petitgrain |
| Other purposes | Joy, My sin |
| 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) | |
| 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) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. 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. P321 - Specific treatment (see supplemental first aid instructions on this msds). 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. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4500 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 623, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 623, 1976. | |
| 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: | |||
| 1.1200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2003) | |||
| Recommendation for nerol usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 2.1600 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.06 mg/kg/day (IFRA, 2003) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 250.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 171.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 15.00000 | 25.00000 | |
| beverages(nonalcoholic): | 3.00000 | 5.00000 | |
| beverages(alcoholic): | 1.00000 | 2.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 27.00000 | 300.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 14.00000 | 21.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 5.00000 | 8.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 16.00000 | |
| 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): |
| Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] View page or View pdf |
| Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 View page or View pdf |
| Safety and efficacy of a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters belonging to chemical group 3 when used as flavourings for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):106-25-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :643820 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
| Chemidplus:0000106252 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:RG5840000 for cas# 106-25-2 |