| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 556-82-1 |
| ECHA EC Number: | 209-141-4 |
| FDA UNII: | 55MY0HM445 |
| CoE Number: | 11795 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | prenol |
| InChI : | InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
| Std.InChI: | InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
| InChIKey : | ASUAYTHWZCLXAN-UHFFFAOYAN |
| Std.InChIKey: | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
| SMILES : | CC(=CCO)C |
| MDL: | MFCD00002916 |
| Molar Refractivity : | 26.64 ± 0.3 cm3 (est) |
| Parachor : | 231.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.435 ± 0.02 (est) |
| Surface Tension : | 26.4 ± 3.0 dyne/cm (est) |
| Density : | 0.844 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.56 ± 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: | 1200 3-methyl-2-buten-1-ol |
| DG SANTE Food Flavourings: | 02.109 3-methylbut-2-en-1-ol |
| FEMA Number: | 3647 3-methyl-2-buten-1-ol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 556-82-1 ; 3-METHYL-2-BUTEN-1-OL |
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84400 to 0.85200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.023 to 7.089 |
| Refractive Index: | 1.43800 to 1.44800 @ 20.00 °C. |
| Boiling Point: | 138.00 to 174.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 2.384000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w): | 1.055 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.094e+004 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Beijing Lys Chemicals |
| 3-Methyl-2-buten-1-ol |
| Berjé |
| Prenol |
| Media |
| BOC Sciences |
| For experimental / research use only. |
| PRENOL 98.0% |
| Citrus and Allied Essences |
| Prenol |
| Market Report |
| Ernesto Ventós |
| PRENOL Odor: HERBAL,GREEN,FRUITY,LAVENDER Flavor: FRESH,FRUITY,GREEN,APPLE |
| Grau Aromatics |
| VERTENOL (PRENOL) NI, Kosher |
| Indukern F&F |
| PRENOL Odor: FRUITY, GREEN, LAVENDER |
| Lluch Essence |
| PRENOL |
| M&U International |
| Prenol |
| Moellhausen |
| PRENOL Odor: fresh, ethereal, yeast and fermented yeasty |
| Penta International |
| 3-METHYL-2-BUTEN-1-OL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methyl-2-buten-1-ol |
| Sigma-Aldrich |
| 3-Methyl-2-buten-1-ol, ≥98%, FG Odor: fruity; green |
| Certified Food Grade Products |
| SRS Aromatics |
| VERTENOL |
| Synerzine |
| 3-Methyl-2-buten-1-ol |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Methyl-2-buten-1-ol >98.0%(GC) |
| United International |
| Prenol |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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 810 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3900 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979. | |
| 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 prenol usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.80 (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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 1.50000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.50000 | |
| 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): |
| 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 |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 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 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 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 |
| 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):556-82-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11173 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1987 |
| WGK Germany:1 |
| 3-methylbut-2-en-1-ol |
| Chemidplus:0000556821 |
| RTECS:EM9472500 for cas# 556-82-1 |
| 3-methylbut-2-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 556-82-1 |
| Pubchem (cid): | 11173 |
| Pubchem (sid): | 134977054 |
| Flavornet: | 556-82-1 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C01390 |
| HMDB (The Human Metabolome Database): | HMDB30124 |
| FooDB: | FDB001927 |
| Export Tariff Code: | 2905.29.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| arctic bramble fruit Search Trop Picture | |
| artichoke Search Trop Picture | |
| beans Search PMC Picture | |
| beef boiled beef Search PMC Picture | |
| blackberry fruit Search PMC Picture | |
| cactus prickly pear Search Trop Picture | |
| cheese mozzarella cheese Search PMC Picture | |
| cloudberry fruit Search Trop Picture | |
| coffee Search PMC Picture | |
| currant black currant fruit Search Trop Picture | |
| grape Search Trop Picture | |
| grapefruit juice Search Trop Picture | |
| guava fruit Search Trop Picture | |
| heracleum paphlagonicum czeczott fruit oil turkey @ <0.10% Data GC Search Trop Picture | |
| hop oil Search Trop Picture | |
| lemon fruit juice Search Trop Picture | |
| lime fruit juice Search Trop Picture | |
| loganberry fruit Search Trop Picture | |
| mango fruit Search Trop Picture | |
| orange fruit juice Search Trop Picture | |
| passion fruit juice Search Trop Picture | |
| pepino fruit Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| raspberry red raspberry plant Search Trop Picture | |
| tomato Search Trop Picture | |
| vanilla Search Picture | |
| ylang ylang oil Search Trop Picture | |
| ylang ylang oil @ 0.06% Data GC Search Trop Picture |
| but-2-en-1-ol, 3-methyl- | |
| 2- | buten-1-ol, 3-methyl- |
| dimethyl allyl alcohol | |
| 3,3- | dimethylallyl alcohol |
| 3- | methyl but-2-en-1-ol |
| 3- | methyl crotyl alcohol |
| 3- | methyl-2-buten-1-ol |
| 2- | methyl-2-buten-4-ol |
| 3- | methyl-2-butene-1-ol |
| 3- | methyl-2-butenol |
| 3- | methyl-2-butenyl alcohol |
| 3- | methylbut-2-en-1-ol |
| 3- | methylcrotyl alcohol |
| prenol (3-methyl-2-buten-1-ol) | |
| prenyl alcohol | |
| vertenol (Grau) |
