| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1786-08-9 |
| ECHA EC Number: | 217-241-4 |
| FDA UNII: | NSW8112Y7S |
| Category: | flavor and fragrance agents |
| IUPAC Name: | nerol oxide |
| InChI : | InChI=1/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3 |
| InChIKey : | FRISMOQHTLZZRP-UHFFFAOYAI |
| Std.InChIKey: | FRISMOQHTLZZRP-UHFFFAOYSA-N |
| SMILES : | CC1=CCOC(C1)C=C(C)C |
| Molar Refractivity : | 49.19 ± 0.3 cm3 (est) |
| Parachor : | 387.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.523 ± 0.02 (est) |
| Surface Tension : | 33.4 ± 3.0 dyne/cm (est) |
| Density : | 0.945 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.50 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1235 nerol oxide |
| DG SANTE Food Flavourings: | 13.088 3,6-dihydro-4-methyl-2-(2-methylprop-1-en-1-yl)-2H-pyran |
| FEMA Number: | 3661 nerol oxide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1786-08-9 ; 3,6-DIHYDRO-4-METHYL-2(2-METHYLPROPEN-1-YL)-2H-PYRAN |
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 201.00 to 202.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.409000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 159.00 °F. TCC ( 70.56 °C. ) |
| logP (o/w): | 2.984 (est) |
| Soluble in: | |
| alcohol | |
| water, 77.23 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Bedoukian Research |
| NEROL OXIDE, NO ANTIOXIDANT Odor: A floral, orangeblossom, green, sweet Use: Adds body to neroli, honeysuckle and hyacinth compositions. Flavor: floral Used at low levels in citrus, tropical and peppermint flavors for a unique cooling note. |
| Bedoukian Research |
| NEROL OXIDE ≥95.0%, Kosher Odor: floral, orangeblossom, green, sweet Use: Adds body to neroli, honeysuckle and hyacinth compositions. Flavor: green Used at low levels in citrus, tropical and peppermint flavors for a unique cooling note. |
| BOC Sciences |
| For experimental / research use only. |
| NEROL OXIDE 97.0% |
| CJ Latta & Associates |
| NEROL OXIDE |
| Lluch Essence |
| NEROL OXIDE |
| M&U International |
| Nerol Oxide |
| Parchem |
| nerol oxide |
| Penta International |
| NEROL OXIDE |
| Perfumer Supply House |
| Nerol Oxide (Bedoukian) Odor: floral, orange-blossom, green, sweet |
| Prasad Organics |
| Nerol Oxide |
| 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 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 ~ 5000 mg/kg (Moreno, 1980l) oral-rat LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 97S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 97S, 1992. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 | |||
| Recommendation for nerol oxide usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.85 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.70 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| beverages(nonalcoholic): | - | 0.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.10000 | |
| fruit ices: | - | 0.10000 | |
| gelatins / puddings: | - | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.20000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | 0.10000 | |
| jams / jellies: | - | 0.10000 | |
| meat products: | - | - | |
| milk products: | - | 0.10000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | 0.10000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 0.20000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (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 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1786-08-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61275 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran |
| Chemidplus:0001786089 |
| Leffingwell: | Chirality or Article |
| 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1786-08-9 |
| Pubchem (cid): | 61275 |
| Pubchem (sid): | 135017154 |
| Flavornet: | 1786-08-9 |
| Pherobase: | View |
| (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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB020082 |
| Export Tariff Code: | 2909.20.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | aldehydic |
| FR | autumn |
| FR | azalea |
| FR | berry |
| FR | bouquet |
| FR | carnation |
| FR | chamomile |
| FR | citrus |
| FR | clove blossom |
| FR | cucumber |
| FL/FR | currant bud absolute replacer |
| FR | dahlia |
| FR | daisy |
| FR | daphne |
| FR | davana oil replacer |
| drakkar noir | |
| FR | elder berry |
| FR | fagonia |
| fantasy blends | |
| FR | floral |
| FR | foliage |
| FR | fruit |
| FR | geranium |
| FR | grapefruit |
| FR | green |
| FR | guava |
| FR | herbal |
| FR | honeysuckle |
| FR | hyacinth |
| FR | hydrangea |
| FR | leather |
| FR | lily of the valley |
| FR | mango |
| metal by paco rabanne | |
| FR | millefleurs |
| FR | mint |
| FR | moss |
| FR | musk |
| FR | neroli |
| FL/FR | parsley leaf |
| FR | peony |
| FR | peppermint |
| FR | petunia |
| FR | phlox |
| FR | poppy |
| FR | rain |
| FR | reseda |
| rive gauche | |
| FR | rose |
| FR | rose absolute replacer |
| FR | rose d'orient |
| FR | rose dog rose |
| FR | rose geranium |
| FR | rose moss rose |
| FR | rose red rose |
| FR | rose tea rose |
| FR | rose white rose |
| FR | rosemary |
| FR | scented stock |
| FR | stephanotis |
| FL | tea |
| FR | tobacco |
| FL | tropical |
| FR | tulip |
| FR | wine |
| FR | wisteria |
| artemisia santolina schrenk oil iran @ 0.30% Data GC Search Trop Picture | |
| cistus oil @ 0.2% Data GC Search Trop Picture | |
| clary sage oil greece @ trace% Data GC Search Trop Picture | |
| elder black elder flower oil Search Trop Picture | |
| ginger rhizome Search Trop Picture | |
| grapefruit juice Search Trop Picture | |
| laurel leaf oil turkey @ 0.10% Data GC Search Trop Picture | |
| wine white wine Search Picture | |
| witch hazel leaf oil @ 0.09% Data GC Search Trop Picture |
| 3,6- | dihydro-4-methyl-2-(2-methyl propen-1-yl)-2H-pyran |
| 3,6- | dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran |
| 3,6- | dihydro-4-methyl-2-(2-methylprop-1-en-1-yl)-2H-pyran |
| 3,6- | dihydro-4-methyl-2-(2-methylpropen-1-yl)-2H-pyran |
| 3,6- | dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran |
| 3,6- | dihydro-4-methyl-2,2-methyl propen-1-yl-2H-pyran |
| 4- | methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran |
| 4- | methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran |
| neroloxide | |
| neroloxyde | |
| 2H- | pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)- |
| 2H- | pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)- |
| 2H- | pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propeyl)- |
| 2H- | pyran, 3,6-dihydro-4-methyl-2-(2-methylpropenyl)- |
