| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 6386-38-5 |
| ECHA EC Number: | 228-985-4 |
| FDA UNII: | 35RWF1ITXJ |
| Category: | antioxidants and preservatives |
| IUPAC Name: | methyl di-tert-butyl hydroxyhydrocinnamate |
| InChI : | InChI=1/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 |
| Std.InChI: | InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 |
| InChIKey : | PXMJCECEFTYEKE-UHFFFAOYAQ |
| Std.InChIKey: | PXMJCECEFTYEKE-UHFFFAOYSA-N |
| SMILES : | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC |
| MDL: | MFCD00210461 |
| Molar Refractivity : | 85.49 ± 0.3 cm3 (est) |
| Parachor : | 699.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.500 ± 0.02 (est) |
| Surface Tension : | 33.5 ± 3.0 dyne/cm (est) |
| Density : | 1.006 ± 0.06 g/cm3 (est) |
| Polarizability : | 33.89 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 341.00 to 342.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000039 mmHg @ 25.00 °C. (est) |
| Flash Point: | 255.00 °F. TCC ( 123.89 °C. ) |
| logP (o/w): | 4.866 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.462 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | antioxidants perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester 98% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Methyl 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-propanoate ≥99% |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |||
| antioxidants and preservatives | |||
| Recommendation for methyl di-tert-butyl hydroxyhydrocinnamate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl di-tert-butyl hydroxyhydrocinnamate flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):6386-38-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62603 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate |
| Chemidplus:0006386385 |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6386-38-5 |
| Pubchem (cid): | 62603 |
| Pubchem (sid): | 135021298 |
| (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): | Search |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester | |
| 3-(3,5- | di-tert-butyl-4-hydroxy-phenyl)-propionic acid methyl ester |
| hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester | |
| irganox 1300 | |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate | |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionate | |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate | |
| methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate | |
| methyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate | |
| methyl 3-[3,5-bis(tert-butyl)-4-hydroxyphenyl]propanoate | |
| methyl 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-propanoate | |
| methyl 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propanoate | |
| methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate | |
| methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate | |
| methyl di-tert-butyl hydroxyphenyl propionate | |
| methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate | |
| metilox | |
| propionic acid, 3-(3,5-di-t-butyl-4-hydroxyphenyl), methyl ester | |
| stabiliff |
| None found yet. Try the PubMed Search. |
