Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,5-디-tert-부틸-4-하이드록시벤질알코올
3,5-디-tert-부틸-4-하이드록시벤질알코올 · Butylated hydroxymethylphenol · 2,6-DI-TERT-BUTYL-4-HYDROXYMETHYLPHENOL · ao754 · AO 754 · ionox100 · Ionox 100 · Ethanox-754
식별자 및 물리적 특성
| CAS No. | 88-26-6 |
|---|---|
| 분자식 | C15H24O2 |
| 평균 분자량 | 236.35 g/mol |
| 단동위원소 질량 | 236.17763 g/mol |
| SMILES | CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O |
| InChIKey | HNURKXXMYARGAY-UHFFFAOYSA-N |
| PubChem CID | 6929 |
| ChEMBL | CHEMBL225220 |
| ChEBI | CHEBI:173703 |
| EC No. | 201-815-6 |
| DTXSID | DTXSID7020211 |
| 현지명 | 3,5-디-tert-부틸-4-하이드록시벤질알코올 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 223 |
| 녹는점 | 141 °C139-141 °C(lit.) |
| Physical Description | Solid |
| Kovats Retention Index | 1781.4 |
| 끓는 점 | 214°C 40mm |
| 밀도 | 0.9845 (rough estimate) |
| 증기압 | 0Pa at 20℃ |
| 굴절률 | 1.5542 (estimate) |
| 인화점 | 214°C/40mm |
| 저장 조건 | 2-8°C |
| 용해도 | 물에 불용성 |
| pKa(산도 계수) | 12.01±0.40(Predicted) |
| 물리적 상태 | Solid:particulate/powder |
| 색상 | 흰색에서 노란색, 주황색으로 |
| BRN | 2052291 |
| InChI | 1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3 |
| InChIKey | HNURKXXMYARGAY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C |
| LogP(분배 계수) | 3.16 at 20℃ |
| NIST | 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6) |
| EPA | 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6) |
화학적 성질
White, crystalline powder.No odor. Partially soluble in methanol, ethanol, and acetone; insoluble in water. Combustible.
안전 및 규제
| GHS 분류 | WarningH315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (95.6%)Eye Irrit. 2 (95.6%)STOT SE 3 (93.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DO0750000 |
| 독성 | LDLo oral in mouse: 7gm/kg |
| 관세 코드 | 29072990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-03065 |
| 위험 등급 | Aquatic Chronic 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is an antioxidant used alone or in combination with other permitted antioxidants. The total amount of all antioxidants added to food must not exceed 0.02% of the oil or fat content of the food, including the essential (volatile) oil content of the food.