2-Phenyl-1-propanol
2-Phenylpropan-1-ol · 2-PHENYL-1-PROPANOL · FEMA 2732 · HYDRATROPIC ALCOHOL · 2-PHENYL PROPYL ALCOHOL · Benzeneethanol, .beta.-methyl- · 3-Bromo-β2-phenylpropan- · HYDRATROPAALKOHOL
식별자 및 물리적 특성
| CAS No. | 1123-85-9 |
|---|---|
| 분자식 | C9H12O |
| 평균 분자량 | 136.19 g/mol |
| 단동위원소 질량 | 136.088815 g/mol |
| SMILES | CC(CO)c1ccccc1 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| PubChem CID | 14295 |
| ChEMBL | CHEMBL2323841 |
| ChEBI | CHEBI:193640 |
| EC No. | 214-379-7 |
| DTXSID | DTXSID8037756 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 84 |
| 밀도 | 0.971-0.9780.975 g/mL at 25 °C (lit.) |
| 용해도 | Soluble in oilsSlightly soluble in waterSoluble (in ethanol) |
| 끓는 점 | 113.00 to 114.00 °C. @ 14.00 mm Hg219 °C110-111 °C/10 mmHg (lit.) |
| 굴절률 | 1.523-1.530n20/D 1.526(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless liquidSweet floral lilac, hyacinth type aroma |
| Kovats Retention Index | 1144.611791975.11920 |
| 녹는점 | -37 °C |
| 증기압 | 3.45hPa at 25℃ |
| FEMA | 2732 | BETA-METHYLPHENETHYL ALCOHOL |
| 인화점 | 201 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 14.79±0.10(Predicted) |
| 비중 | 1.015 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | 100.00%에서. 녹색 매운 히아신스 발삼 라일락 인동덩굴 |
| 향취 유형 | 발사믹 |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| JECFA Number | 1459 |
| BRN | 1906760 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| SMILES | CC(CO)c1ccccc1 |
| LogP(분배 계수) | 1.8 at 20℃ |
| NIST | Benzeneethanol, «beta»-methyl-(1123-85-9) |
| EPA | Benzeneethanol, .beta.-methyl- (1123-85-9) |
화학적 성질
CLEAR LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.There are 4 notifications provided by 20 of 288 reports by companies with hazard statement code(s).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: Benzeneethanol, .beta.-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SG8590000 |
| 관세 코드 | 29062900 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-24/25-36 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
β-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
용도
2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
일반 설명
The mass spectra of 2-phenyl-1-propanol was studied by positive- and negative-ion-fast atom bombardment-mass spectrometric ionization technique.
제조 및 합성 방법
제조 방법
By reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known
생산 방법
2-Phenyl-1-propanol is made by the catalytic hydrogenation of 2-phenylpropanal. It is used as a component of fragrances and as a food flavoring agent.