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2-methylbut-2-en-1-ol
Notes:
Widespread nat. occurrence, e.g. in Ochromonas danica, in Anthemis nobilis (as acetate), in fruit juices and animal sources (unspecified stereochem.) Found in Roman chamomile ( Anthemis nobilis) (together with esters)
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 4675-87-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 225-127-0 | |
| FDA UNII: | FF5W0ROP10 | |
| Nikkaji Web: | J102.082J | |
| CoE Number: | 10258 | |
| XlogP3-AA: | 1.00 (est) | |
| Molecular Weight: | 86.13390000 | |
| Formula: | C5 H10 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | The chemical name should be changed to 2-methylbut-(2E)-en-1-ol and the CAS number to 497-02-9, according to the specifcations provided (Documentation provided to EFSA nr: 1) 90% (E)-isomer 5% (Z)-isomer | |
Category: flavoring agents and cosmetic fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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: | 1617 2-methylbut-2-en-1-ol |
| DG SANTE Food Flavourings: | 02.174 2-methylbut-2-en-1-ol |
| FEMA Number: | 4178 2-methylbut-2-en-1-ol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 4675-87-0 ; 2-METHYLBUT-2-EN-1-OL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86300 to 0.86900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.181 to 7.231 |
| Refractive Index: | 1.43900 to 1.44500 @ 20.00 °C. |
| Boiling Point: | 137.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 2.384000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 122.00 °F. TCC ( 50.00 °C. ) |
| logP (o/w): | 1.055 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.094e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| green oily | |
| Odor Description: at 10.00 % in dipropylene glycol. | green oily |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| (E)-2-methylbut-2-en-1-ol |
| Parchem |
| 2-methyl-2-buten-1-ol |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 | |
Safety in Use Information:
| Category: | flavoring agents and cosmetic fragrance agents | ||
| Recommendation for tiglyl alcohol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | NA (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 25.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | 20.00000 | 100.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | 2.00000 | 10.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | 5.00000 | 25.00000 | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 10.00000 | 50.00000 | |
| soft candy: | - | - | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 5.03000 | 11.86000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.50000 | 4.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.75000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 4.78000 | 5.00000 | |
| Confectionery (05.0): | 5.00000 | 14.22000 | |
| Chewing gum (05.0): | 2.20000 | 9.56000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.79000 | 11.40000 | |
| Bakery wares (07.0): | 6.20000 | 17.17000 | |
| Meat and meat products, including poultry and game (08.0): | 0.79000 | 3.50000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.50000 | 1.75000 | |
| Eggs and egg products (10.0): | 0.01000 | 3.00000 | |
| Sweeteners, including honey (11.0): | 0.51000 | 4.38000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.75000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.01000 | 5.01000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.00000 | 3.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.50000 | 0.50000 | |
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 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19. View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19 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 |
| EPA Substance Registry Services (TSCA): | 4675-87-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6433417 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-methylbut-2-en-1-ol | |
| Chemidplus: | 0004675870 |
References:
| 2-methylbut-2-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6433417 |
| Pubchem (sid): | 134984507 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB34465 |
| FooDB: | FDB012875 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| citrus | ||
| valencene | FL/FR | |
| coconut | ||
| delta- | heptalactone | FL/FR |
| earthy | ||
| 1- | octen-3-ol | FL/FR |
| floral | ||
| gardenia pentyl acetate | FR | |
| (Z)- | methyl epi-jasmonate | FL/FR |
| methyl jasmonate | FL/FR | |
| fruity | ||
| nerolidyl isobutyrate | FR | |
| octyl butyrate | FL/FR | |
| iso | propyl 2-methyl butyrate | FL/FR |
| green | ||
| bark carbaldehyde | FR | |
| coriander heptenol | FL/FR | |
| 1- | hepten-3-ol | FL/FR |
| (Z)-3- | hexen-1-yl pyruvate | FL/FR |
| hexyl tiglate | FL/FR | |
| privet dioxane | FR | |
| violet decenol | FR | |
| violet leaf absolute | FL/FR | |
| herbal | ||
| (E)-6- | methyl-3-hepten-2-one | FL/FR |
| waxy | ||
| heptyl octanoate | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| coriander heptenol | FL/FR | |
| (E)-6- | methyl-3-hepten-2-one | FL/FR |
| citrus | ||
| valencene | FL/FR | |
| fatty | ||
| (E,E)-2,4- | heptadienal | FL |
| floral | ||
| (Z)- | methyl epi-jasmonate | FL/FR |
| methyl jasmonate | FL/FR | |
| fruity | ||
| iso | propyl 2-methyl butyrate | FL/FR |
| green | ||
| 1- | hepten-3-ol | FL/FR |
| (Z)-3- | hexen-1-yl pyruvate | FL/FR |
| hexyl tiglate | FL/FR | |
| sorbyl acetate | FL | |
| violet leaf absolute | FL/FR | |
| lactonic | ||
| delta- | heptalactone | FL/FR |
| mushroom | ||
| 1- | octen-3-ol | FL/FR |
| waxy | ||
| heptyl octanoate | FL/FR | |
| octyl butyrate | FL/FR | |
Potential Uses:
| algae | FR |
Occurrence (nature, food, other): note
| chamomile roman chamomile Search Trop Picture | |
| coffee Search PMC Picture | |
| ham cured ham Search PMC Picture | |
| narcissus absolute @ 0.09% Data GC Search Trop Picture | |
| quince fruit Search Trop Picture | |
| rhodiola crenulata Search Trop Picture |
Synonyms:
| 2- | methyl but-2-en-1-ol |
| 2- | methyl-2-buten-1-ol |
| 2- | methyl-2-butenol |
| 2- | methylbut-2-en-1-ol |
| tiglic alcohol | |
| tiglyl alcohol |