Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Methyl-3-butyn-2-ol
2-메틸-3-부틴-2-올 · 3-메틸-1-부틴-3-올 · 메틸부티놀,3-하이드록시-3-메틸-1-부탄 · 디메틸에티닐메탄올 · 2-메틸부-3-틴-2-올 · 1,1-다이메틸-2-프로핀-1-올 · 1,1-다이메틸프로파르길 알코올 · 1,1-다이메틸프로피놀
식별자 및 물리적 특성
| CAS No. | 115-19-5 |
|---|---|
| 분자식 | C5H8O |
| 평균 분자량 | 84.12 g/mol |
| 단동위원소 질량 | 84.05751488 g/mol |
| SMILES | C#CC(C)(C)O |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| PubChem CID | 8258 |
| ChEMBL | CHEMBL3185871 |
| EC No. | 204-070-5 |
| DTXSID | DTXSID2021949 |
| 현지명 | 3-메틸-1-부틴-3-올 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 83.4 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 0.3180.28 |
| 밀도 | 0.8672 (USCG, 1999) - Less dense than waterwill floatDensity (gas): 0.9 kg/m³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.040.868 g/mL at 25 °C(lit.) |
| 용해도 | Solubility in water: miscible완전히 혼합 가능합니다. |
| 인화점 | 77 °F (USCG, 1999)20 °C c.c. |
| 끓는 점 | 219.2 to 221 °F at 760 mmHg (USCG, 1999)104-105 °C104 °C(lit.) |
| 녹는점 | 36.7 °F (USCG, 1999)2.6 °C3 °C |
| 증기 밀도 | Relative vapor density (air = 1): 2.9 |
| 증기압 | 16.0 [mmHg]Vapor pressure, kPa at 20 °C: 215 mm Hg ( 20 °C) |
| Physical Description | 2-methyl-2-hydroxy-3-butyne is a colorless to straw yellow liquid. (USCG, 1999)mp = 2.6 deg C[Merck Index] Colorless liquid[Alfa Aesar MSDS]COLOURLESS LIQUID. |
| 자연 발화 온도 | 350 °C |
| 굴절률 | n20/D 1.42(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 분말 또는 결정 |
| pKa(산도 계수) | 13.34±0.29(Predicted) |
| 색상 | 흰색에서 노란색-베이지색에서 갈색까지 |
| pH | 7 (H2O, 20℃) |
| 폭발한계 | 1.8-16%(V) |
| 용해도 | 혼용 가능 |
| Merck | 14,6034 |
| BRN | 635746 |
| 헨리 상수 | 2.5×100 mol/(m3Pa) at 25℃, Altschuh et al. (1999) |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3 |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C#C |
| LogP(분배 계수) | 0.318 at 20-25℃ |
| NIST | 3-Butyn-2-ol, 2-methyl-(115-19-5) |
| EPA | 2-Methyl-3-butyn-2-ol (115-19-5) |
화학적 성질
colourless to light yellow liquid.Methylbutynol (3-Methyl butynol) is a colorless, transparent, and aromatic liquid that can be consumed at room temperature. It is soluble in water and fatty acids and miscible with acetone, benzene, carbon tetrachloride, and petroleum ether but insoluble in ammonia. Methylbutynol and water form an azeotrope with an azeotropic point of 91 °C in the methylbutynol composition of 74% and the water composition of 26%. Methylbutynol is chemically active and has the common reactions of alcohol groups and unsaturated triple bonds, such as addition, polymerization, esterification, and oxidation reactions.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 4.8% (24 of 500) of reports.DangerH225 (62.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, 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 500 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 3-Butyn-2-ol, 2-methyl-Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/126653-Butyn-2-ol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 3-Butyn-2-ol, 2-methyl-: Human health tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)Highly flammable. Vapour/air mixtures are explosive. Risk of explosion on contact with copper. |
| 건강 유해성 | Contact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999) |
| 유해성 요약 | An eye but not skin irritant in rabbitsNot a skin sensitizer in guinea pig modified split adjuvant testDevelopmental toxicity observed in rats at doses maternally toxic[IUCLID] Causes somnolence, lung changes, ataxia, respiratory depression, and general anesthesia in inhalation lethal-concentration studies of miceOral LD50 (mouse) = 500 mg/kg[RTECS] A skin and eye irritantMay cause smarting and reddening of skin if spilled and allowed to remain on clothesHigh vapor concentrations may cause mild smarting of eyes and respiratory tract[CHRIS] An eye irritant[ICSC] May cause serious eye injuryHarmful by ingestion[ECHA REACH Registrations] An irritant[Alfa Aesar MSDS] |
| 반응성 그룹 | Alcohols and Polyols |
| UN 분류 | UN Hazard Class: 3UN Pack Group: II |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-METHYL-2-HYDROXY-3-BUTYNE is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. |
| Chemical Dangers | Reacts with oxidants. Reacts with copper. This generates explosion hazard. Reacts violently with acids. Heating may cause violent combustion or explosion. Decomposes on contact with hot surfaces or flames. This produces irritating fumes. |
| Physical Dangers | The vapour mixes well with air, explosive mixtures are easily formed. |
| 소화 | Fire Extinguishing Agents Not to Be Used: Water.Use carbon dioxide, foam, dry powder. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact of the substance with water. |
| 응급 조치 | Fresh air, rest.Rinse skin with plenty of water or shower.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. |
| 응급 처치 | Get medical attention. |
| 안전 보관 | Fireproof. Separated from strong oxidants, acids and copper. Cool. |
| 비화재 누출 대응 | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: |
| 누출 처리 | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. |
| Isolation and Evacuation | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | If powder: NO open flames, NO sparks, and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 노출 경로 | The substance can be absorbed into the body by ingestion. |
| Signs and Symptoms | Cough.Redness. Pain.Dizziness. |
| Toxicity Data | LC50 (mouse) = 2,000 mg/m3 |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | ES0810000 |
| 운송 번호(UN) | UN 1987 3/PG 2 |
| 독성 | LD50 orally in Rabbit: 1420 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 관세 코드 | 29052990 |
| 위험 문구(R) | 10-22-41 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-39-16 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Repr. 2STOT SE 3 |
| 기존화학 물질 | KE-23667 |
| 자연 발화 온도 | 662 °F |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Stabilizer in chlorinated solvents, viscosity reducer and stabilizer, electroplating brightener, intermediate.
일반 설명
Colorless to straw yellow liquid.
제조 및 합성 방법
제조 방법
3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol.