Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
벤조인
벤조인 · 2-하이드록시-1,2-다이페닐에타논 · (±)-2-하이드록시-1,2-다이페닐에탄온 · (±)-2-하이드록시-2-페닐아세토페논 · 2-하이드록시-1,2-다이페닐에탄온 · 2-하이드록시-2-페닐아세토페논 · 벤조일페닐 카비놀 · 벤조일페닐카빈올
식별자 및 물리적 특성
| CAS No. | 119-53-9 |
|---|---|
| 분자식 | C14H12O2 |
| 평균 분자량 | 212.24 g/mol |
| 단동위원소 질량 | 212.08372962 g/mol |
| SMILES | O=C(c1ccccc1)C(O)c1ccccc1 |
| InChIKey | ISAOCJYIOMOJEB-UHFFFAOYSA-N |
| PubChem CID | 8400 |
| ChEMBL | CHEMBL190677 |
| ChEBI | CHEBI:17682 |
| EC No. | 204-331-3 |
| DTXSID | DTXSID1020144 |
| 현지명 | 벤조인 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 225 |
| 물질 분류 | Other Classes -> Other Aromatic Compounds |
| LogP(분배 계수) | 2.130 |
| 냄새 | SWEET NON-DESCRIPT ODOR기분 좋은 바닐라 같은 냄새 |
| 맛 | SWEET NON-DESCRIPT TASTE |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.31 at 68 °F (NTP, 1992) - Denser than waterwill sink1.31 g/cm³ |
| 향미제 | EU Flavoring substances |
| Color/Form | PALE YELLOW CRYSTALSWHITE CRYSTALS |
| 용해도 | less than 0.1 mg/mL at 64 °F (NTP, 1992)SOL IN 3335 PARTS WATER, MORE SOL IN HOT WATERSOL IN 5 PARTS PYRIDINEACETONESOL IN BOILING ALCSLIGHTLY SOL IN ETHER /DL-FORM/SOL IN HOT METHANOLSOL IN HOT ALCOHOLACETONE /D & L-FORMS/SOL IN PYRIDINE /D-FORM/0.3 mg/mL at 25 °CSolubility in water, g/100ml: 0.030.3g/L |
| 끓는 점 | 651 °F at 760 mmHg (NTP, 1992)194.00 °C. @ 12.00 mm Hgat 102.4kPa: 344 °C194 °C (12 mm Hg)194 °C12 mm Hg(lit.) |
| 녹는점 | 279 °F (NTP, 1992)134-138MP:133-4 °C /D & L FORMS/137 °C134-138 °C(lit.) |
| 증기압 | 1 MM HG @ 135.6 °CVapor pressure, Pa at 136 °C: 1331.3 hPa (136 °C) |
| FEMA | 2132 | BENZOIN |
| 인화점 | 181 |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 12.28±0.20(Predicted) |
| 색상 | 황백색에서 아주 약간 노란색을 띤다. |
| 향취 유형 | 발사믹 |
| 용해도 | 염소에 용해됩니다. 물, 에탄올, 에테르에 약간 용해됩니다. |
| Merck | 14,1093 |
| JECFA Number | 836 |
| BRN | 391839 |
| 헨리 상수 | 2.2×105 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H |
| InChIKey | ISAOCJYIOMOJEB-UHFFFAOYSA-N |
| SMILES | OC(c1ccccc1)C(=O)c2ccccc2 |
| LogP(분배 계수) | 1.84-2.13 at 25℃ |
| NIST | Ethanone, 2-hydroxy-1,2-diphenyl-(119-53-9) |
| EPA | Benzoin (119-53-9) |
화학적 성질
Benzoin has a faint, sweet, balsamic odor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 68.8% (308 of 448) of all reports.H412 (30.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 448 reports by companies from 4 notifications to the ECHA C&L Inventory.Not Classified |
|---|---|
| 규제 정보 | Chemical: Ethanone, 2-hydroxy-1,2-diphenyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 2-hydroxy-1,2-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2-hydroxy-1,2-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1899Ethanone, 2-hydroxy-1,2-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 화재 가능성 | SLIGHT, WHEN HEATED... |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. It may also cause contact dermatitis. |
| 유해성 요약 | An irritant[ICSC] May cause skin and eye irritationMay be harmful if ingested, inhaled, or absorbed through the skinOral LD50 (rat) = 10,000 mg/kg[MSDSonline] |
| FDA 요건 | 121.1164, LIMITATIONS: SYNTHETIC FLAVOR8.390, LIMITATIONS: DILUENT IN INKS FOR MARKING FRUITS & VEGETABLES. PRODUCT SPECIFICATIONS APPLY. |
| 반응성 그룹 | Alcohols and Polyols |
| Special Reports | DHEW/NCIBioassay of Benzoin for Possible Carcinogenicity (1980) Technical Rpt Series No. 204 DHEW Pub No. (NIH) 80-1760 |
용도
출처
Benzoin is a resin from the trees of genus Styrax.
용도
benzoin is a fragrant essential oil with bactericidal, anti-irritation, and anti-itching properties. It is considered a good ingredient for reducing skin redness and is a preservative of fats. Although its primary constituent is benzoic acid, it also contains canillin and an oily aromatic liquid. This balsamic resin is extracted by cutting deeply into the trunks of trees that grow primarily in Indonesia and Thailand.
일반 설명
Off-white to yellow-white crystalline solid with an odor of camphor. Slightly acrid taste. When broken the fresh surfaces have a milky-white color.