Articles:
benzyl 2-methyl-2-butenoate
Notes:
Flavouring agent
| CAS Number: | 67674-41-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 266-880-5 | |
| MDL: | MFCD00017279 | |
| CoE Number: | 2184 | |
| XlogP3-AA: | 2.80 (est) | |
| Molecular Weight: | 190.24198000 | |
| Formula: | C12 H14 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Mixture of (Z)- and (E)-isomer, 60-90 % E-form and 10-40 % Z-form (EFFA,2012k). | |
Category: flavor and 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 |
| DG SANTE Food Flavourings: | 09.858 benzyl 2-methyl-2-butenoate |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.02900 to 1.04000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.562 to 8.654 |
| Refractive Index: | 1.51500 to 1.52600 @ 20.00 °C. |
| Boiling Point: | 250.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.008000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 276.00 °F. TCC ( 135.56 °C. ) |
| logP (o/w): | 3.036 (est) |
| Soluble in: | |
| alcohol | |
| water, 61.75 mg/L @ 25 °C (est) | |
| Similar Items: note | |
| allyl tiglate | |
| amyl tiglate | |
| isoamyl tiglate | |
| benzyl methyl tiglate | |
| butyl tiglate | |
| isobutyl tiglate | |
| cinnamyl tiglate | |
| (E)-citronellyl tiglate | |
| (E)-ethyl tiglate | |
| geranyl methyl tiglate | |
| geranyl tiglate | |
| (Z)-3-hexen-1-yl tiglate | |
| hexyl tiglate | |
| methyl tiglate | |
| 3-octyl tiglate | |
| phenethyl tiglate | |
| propyl tiglate | |
| isopropyl tiglate | |
Organoleptic Properties:
| Odor Type: earthy | |
| earthy mushroom green | |
| Odor Description: at 100.00 %. | earthy mushroom green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzyl Tiglate |
Safety Information:
| Preferred SDS: View | |
| 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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 770 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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): | - | - | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | - | - | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - | |
| Bakery wares (07.0): | 5.00000 | 8.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 8.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf | |
| 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): | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 67674-41-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61967 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| benzyl 2-methylbut-2-enoate | |
| Chemidplus: | 0067674413 |
References:
| benzyl 2-methylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 61967 |
| Pubchem (sid): | 135064254 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB37627 |
| FooDB: | FDB016741 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| almond | FR | |
| balsam | FR | |
| cherry | FR | |
| fungus | FR | |
| gardenia | FR | |
| grape | FR | |
| melon | FR | |
| peach | FR | |
| rose | FR |
Occurrence (nature, food, other): note
| cashew nut Search Trop Picture | |
| chamomile Search PMC Picture | |
| clove plant Search Trop Picture |
Synonyms:
| benzyl 2-methyl crotonate | |
| benzyl 2-methyl-2-butenoate | |
| benzyl 2-methylbut-2-enoate | |
| 2- | butenoic acid, 2-methyl-, phenylmethyl ester |
| 2- | methyl-2-butenoic acid phenyl methyl ester |
| phenyl methyl 2-methyl-2-butenoate | |
| phenylmethyl 2-methylbut-2-enoate |