| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2216-52-6 |
| ECHA EC Number: | 218-691-4 |
| FDA UNII: | 42RE7MA7PA |
| CoE Number: | 2028 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | dextro-neomenthol |
| InChI : | InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| Std.InChI: | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| InChIKey : | NOOLISFMXDJSKH-UTLUCORTBH |
| Std.InChIKey: | NOOLISFMXDJSKH-UTLUCORTSA-N |
| SMILES : | C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C |
| MDL: | MFCD00062980 |
| Molar Refractivity : | 47.83 ± 0.3 cm3 (est) |
| Parachor : | 409.8 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.457 ± 0.02 (est) |
| Surface Tension : | 29.7 ± 3.0 dyne/cm (est) |
| Density : | 0.890 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.96 ± 0.5 10-24cm3 (est) |
| 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: | 428 D-neo-menthol |
| DG SANTE Food Flavourings: | 02.063 D-neomenthol |
| FEMA Number: | 2666 D-neomenthol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2216-52-6 ; D-NEOMENTHOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90000 to 0.90300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.498 to 7.523 |
| Specific Gravity: | 0.89600 to 0.90300 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.464 to 7.523 |
| Refractive Index: | 1.45900 to 1.46200 @ 20.00 °C. |
| Refractive Index: | 1.45900 to 1.46000 @ 20.00 °C. |
| Optical Rotation: | +15.0 to +20.0 |
| Melting Point: | -22.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 95.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 107.00 to 108.00 °C. @ 20.00 mm Hg |
| Vapor Pressure: | 0.032000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w): | 3.216 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, 434.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Cyclohexanol,5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- |
| ExtraSynthese |
| For experimental / research use only. |
| (+)-Neomenthol (GC) ≥97% |
| M&U International |
| neoMENTHOL |
| Penta International |
| D-NEOMENTHOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (+)-NeoMenthol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| (1S,2S,5R)-(+)-Neomenthol ≥95% |
| Synerzine |
| d-neo-Menthol |
| TCI AMERICA |
| For experimental / research use only. |
| (+)-NeoMenthol >96.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| 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 dextro-neomenthol usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| 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: | - | 48.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 31.00000 | |
| fruit ices: | - | 31.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 50.00000 | |
| 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: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2216-52-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :439263 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Chemidplus:0002216526 |
| RTECS:OT0450000 for cas# 2216-52-6 |
| Leffingwell: | Chirality or Article |
| (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2216-52-6 |
| Pubchem (cid): | 439263 |
| Pubchem (sid): | 135335014 |
| (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 |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C00553 |
| HMDB (The Human Metabolome Database): | HMDB35763 |
| FooDB: | FDB014500 |
| Export Tariff Code: | 2906.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •some synthetic menthols are not chemical individuals but...mixtures of various isomers...these are designated...l-menthol, dl-menthol, l-isomenthol, d-isomenthol, dl-isomenthol, l-neomenthol, d-neomenthol, l-neoisomenthol, d-neoisomenthol and dl-neoisomenthol.•when mixed with about equal wt of camphor, chloral hydrate, phenol, or thymol, menthol forms "eutectic" mixt liquifying @ room temp.•menthol, usp drug marketed under generic name.•grades: technical; usp; fcc•synthetic menthol is available as the optically active levo-menthol with a purity of 99.9%. synthetic menthol is also commercially available as the racemic mixture•present in cigarettes and pipe tobacco (0.1-0.45%) shaving creams, pre- and aftershave lotions (0.2-0.3%); toothpastes (0.5%); mouthwashes (1-2%); chewing gums (0.5%); cough drops (0.1%); refreshing towels (1%); rubbing alcohol (1-1.2%); and shampoos (2-0.5%)•mentholatum deep heating rub contains 5.9% menthol; mentholatum ointment, 1.35%; mentholatum deep heating lotion, 6% | |
| cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- | |
| (+)-neo | menthol |
| (1R,3S,4S)-(+)- | menthol |
| (1S,2S,5R)-(+)-neo | menthol |
| D-neo | menthol |
| D-neo- | menthol |
| (1S,2S,5R)-5- | methyl-2-(1-methyl ethyl) cyclohexanol |
| (1S-(1alpha, 2alpha,5beta))-5- | methyl-2-(1-methyl ethyl) cyclohexanol |
| (1S-(1beta, 2beta,5alpha))-5- | methyl-2-(1-methyl ethyl) cyclohexanol |
| (1S,2S,5R)-5- | methyl-2-propan-2-ylcyclohexan-1-ol |
| 2-iso | propyl-5-methyl cyclohexanol stereoisomer |
| D-beta- | pulegomenthol |
| dextro-beta- | pulegomenthol |
