Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Octynoic acid
OCT-2-YNOIC ACID · 2-OCTYNOIC ACID · 2-OCTANOIC ACID · 2-Octynoicacid,98% · 2-Octyn-1-oic acid · m-pentylpropiolate · m-Pentyl propiolate · RARECHEM AL BE 0742
식별자 및 물리적 특성
| CAS No. | 5663-96-7 |
|---|---|
| 분자식 | C8H12O2 |
| 평균 분자량 | 140.18 g/mol |
| 단동위원소 질량 | 140.08372962 g/mol |
| SMILES | CCCCCC#CC(=O)O |
| InChIKey | BQDKCWCMDBMLEH-UHFFFAOYSA-N |
| PubChem CID | 21872 |
| ChEBI | CHEBI:60295 |
| EC No. | 227-121-3 |
| DTXSID | DTXSID50205205 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 159 |
| 녹는점 | 2-5 °C(lit.) |
| 끓는 점 | 148-149 °C19 mm Hg(lit.) |
| 밀도 | 0.961 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.46(lit.) |
| 인화점 | 214 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 2.45±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 노란색 |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH302+H312+H332 (40.8%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (94.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (40.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (94.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 3 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (94.4%)Skin Corr. 1B (100%)Eye Dam. 1 (40.8%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | RI2725000 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29161995 |
| 위험 문구(R) | 20/21/22-34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-27-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-26785 |