Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-옥틴
4-옥틴 · 4-옥틴(4-OCTYNE) · oct-4-yne · 4-Octin · 4-OCTYNE · 4-0ctyene · 4-Octyne>4-Actylenes · 4-OCTYNE 99%
식별자 및 물리적 특성
| CAS No. | 1942-45-6 |
|---|---|
| 분자식 | C8H14 |
| 평균 분자량 | 110.2 g/mol |
| 단동위원소 질량 | 110.10955045 g/mol |
| SMILES | CCCC#CCCC |
| InChIKey | GZTNBKQTTZSQNS-UHFFFAOYSA-N |
| PubChem CID | 16029 |
| EC No. | 217-730-2 |
| DTXSID | DTXSID6074338 |
| 현지명 | 4-옥틴 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 79 |
| Kovats Retention Index | 841839812.5812.51812.59809.9810.6811813.610009989991011.6 |
| 녹는점 | -103 °C |
| 끓는 점 | 131-132 °C(lit.) |
| 밀도 | 0.751 g/mL at 25 °C(lit.) |
| 증기압 | 35 mm Hg ( 37.7 °C) |
| 굴절률 | n20/D 1.425(lit.) |
| 인화점 | 85 °F |
| 저장 조건 | 0-6°C |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 용해도 | 물에 난용성(29.1mg/L). |
| BRN | 1732138 |
| InChI | 1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
| InChIKey | GZTNBKQTTZSQNS-UHFFFAOYSA-N |
| SMILES | CCCC#CCCC |
| EPA | 4-Octyne (1942-45-6) |
화학적 성질
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
안전 및 규제
| GHS 분류 | DangerH226 (92.6%): Flammable liquid and vapor [Warning Flammable liquids]H304 (98.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 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 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Octyne: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (92.6%)Asp. Tox. 1 (98.1%)Skin Irrit. 2 (87%)Eye Irrit. 2 (88.9%)STOT SE 3 (88.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3295 3/PG 3 |
| 관세 코드 | 29012990 |
| 위험 문구(R) | 10-36/37/38-65 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-62 |
용도
용도
4-Octyne is a useful compound in organic synthesis.
일반 설명
The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied.