Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Cyclohexylethanol
2-cyclohexylethan-1-ol · CYCLOHEXANEETHANOL · Cyclohexylethanol · CYCLOHEXYL ETHYL ALCOHOL · 2-Cyclohexyl · CYCLOHEXANETHANOL · 2-CYCLOHEXYETHANOL · 2-CYCLOHEXYLETHANOL
식별자 및 물리적 특성
| CAS No. | 4442-79-9 |
|---|---|
| 분자식 | C8H16O |
| 평균 분자량 | 128.21 g/mol |
| 단동위원소 질량 | 128.12011513 g/mol |
| SMILES | OCCC1CCCCC1 |
| InChIKey | QJQZRLXDLORINA-UHFFFAOYSA-N |
| PubChem CID | 20508 |
| EC No. | 224-672-1 |
| DTXSID | DTXSID7063473 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 65 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Optical coefficient |
| 향료 | Fragrance Ingredient (2-Cyclohexylethyl alcohol) -> IFRA transparency List |
| 밀도 | 0.9229 @ 20°C0.919 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 끓는 점 | 208 °C @760 [mm Hg]206-207 °C/745 mmHg (lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| 녹는점 | -20 °C |
| 증기압 | 0.2 hPa (25 °C) |
| 굴절률 | n20/D 1.465(lit.) |
| 인화점 | 188 °F |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 15.19±0.10(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색의 유성 액체. |
| 냄새 | 100.00%에서. 꽃무늬 왁스 같은 시원한 녹색 모란 백합 이슬 맺힌 장미 |
| 향취 유형 | 꽃향기 |
| 폭발한계 | 0.9-6.3%(V) |
| 용해도 | 불용성 |
| BRN | 1848152 |
| InChI | 1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2 |
| InChIKey | QJQZRLXDLORINA-UHFFFAOYSA-N |
| SMILES | OCCC1CCCCC1 |
| LogP(분배 계수) | 2.301 (est) |
| NIST | Cyclohexaneethanol(4442-79-9) |
| EPA | Cyclohexaneethanol (4442-79-9) |
화학적 성질
2-Cyclohexylethanol is a clear colourless liquid. B.P. 204℃. Dry-camphoraceous odor with some (but not much) resemblance to Rose and Patchouli notes.
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 308 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: CyclohexaneethanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/240282-Cyclohexylethanol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Cyclohexaneethanol: Environment tier I assessment |
| 유해성 요약 | Safe when used as a flavoring agent in food[EFSA] An irritantHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Cyclohexanol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Protective Action Criteria (PAC) | 2.8 [mg/m3]31 [mg/m3]190 [mg/m3] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | KK3528000 |
| 독성 | LD50 orally in Rabbit: 940 mg/kg LD50 dermal Rabbit 1220 mg/kg |
| 관세 코드 | 29061900 |
| 위험 문구(R) | 21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-28-36/37/39 |
| 기존화학 물질 | KE-09236 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 Oral |
용도
출처
Has apparently not been reported to occur in nature
용도
2-Cyclohexylethanol is a useful building block, and has recently been used in a green preparation of oxidative esterification of primary alcohols.
제조 및 합성 방법
제조 방법
By catalytic hydrogenation of phenylethyl alcohol under pressure (Arctander, 1969).