| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 97-86-9 |
| ECHA EC Number: | 202-613-0 |
| FDA UNII: | V11534UYZ0 |
| Category: | film forming agents |
| IUPAC Name: | isobutyl methacrylate |
| InChI : | InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 |
| Std.InChI: | InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 |
| InChIKey : | RUMACXVDVNRZJZ-UHFFFAOYAN |
| Std.InChIKey: | RUMACXVDVNRZJZ-UHFFFAOYSA-N |
| SMILES : | CC(C)COC(=O)C(=C)C |
| MDL: | MFCD00008931 |
| Molar Refractivity : | 40.41 ± 0.3 cm3 (est) |
| Parachor : | 357.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.421 ± 0.02 (est) |
| Surface Tension : | 25.4 ± 3.0 dyne/cm (est) |
| Density : | 0.892 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.02 ± 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 09.586 methacrylic acid, isobutyl ester |
| DG SANTE Food Contact Materials: | methacrylic acid, isobutyl ester |
| FDA Mainterm (IAUFC): | 97-86-9 ; ISOBUTYL METHACRYLATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88200 to 0.88800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.339 to 7.389 |
| Refractive Index: | 1.40900 to 1.41500 @ 20.00 °C. |
| Boiling Point: | 155.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 3.630000 mmHg @ 25.00 °C. |
| Vapor Density: | 3.8 ( Air = 1 ) |
| Flash Point: | 111.00 °F. TCC ( 43.89 °C. ) |
| logP (o/w): | 2.660 |
| Soluble in: | |
| alcohol | |
| water, 1300 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | film formers |
| Penta International |
| 2-METHYLPROPYL-2-METHYL-2-PROPENOATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| isoButyl Methacrylate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoButyl Methacrylate 97% |
| Silver Fern Chemical |
| IBMA: Isobutyl Methacrylate |
| TCI AMERICA |
| For experimental / research use only. |
| isoButyl Methacrylate (stabilized with HQ) >98.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 43 - May cause sensitisation by skin contact. R 50 - Very toxic to aquatic organisms. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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-mouse LD50 11990 mg/kg Toxicology Letters. Vol. 11, Pg. 125, 1982. intraperitoneal-mouse LD50 1340 mg/kg Journal of Pharmaceutical Sciences. Vol. 62, Pg. 778, 1973. intravenous-dog LDLo 134 uL/kg Journal of Pharmaceutical Sciences. Vol. 63, Pg. 376, 1974. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-mouse LCLo 29740 mg/m3/5H Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974. inhalation-rat LCLo 200000 mg/m3/4H BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SENSE ORGANS AND SPECIAL SENSES: OTHER: EYELUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA National Technical Information Service. Vol. OTS0535667 | |
| Category: | |||
| film forming agents | |||
| Recommendation for isobutyl methacrylate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
| 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) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters 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 |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):97-86-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7352 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2283 |
| WGK Germany:1 |
| 2-methylpropyl 2-methylprop-2-enoate |
| Chemidplus:0000097869 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:OZ4900000 for cas# 97-86-9 |
| 2-methylpropyl 2-methylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 97-86-9 |
| Pubchem (cid): | 7352 |
| Pubchem (sid): | 134970809 |
| 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 Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2916.14.2050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: contains 25 ppm hydroquinone monomethyl ether as inhibitor. | |
| None Found |
| film formers |
| iso | butyl 2-methyl prop-2-enoate |
| iso | butyl 2-methyl-2-propenoate |
| iso | butyl 2-methylacrylate |
| iso | butyl 2-methylprop-2-enoate |
| iso | butyl alpha-methacrylate |
| iso | butyl methacrylate, inhibited [UN2283] [Flammable liquid] |
| methacrylic acid isobutyl ester | |
| methacrylic acid, isobutyl ester | |
| 2- | methyl-2-propenoic acid 2-methyl ester |
| 2- | methylpropyl 2-methyl-2-propenoate |
| 2- | methylpropyl 2-methylprop-2-enoate |
| 2- | methylpropyl 2-methylpropenoate |
| 2- | methylpropyl methacrylate |
| 2- | propenoic acid, 2-methyl-, 2-methylpropyl ester |
| propenoic acid, 2-methyl, isobutyl ester |
