1,2-부틸렌옥사이드
1,2-부텐산화물1,2-부틸렌산화물 · 1,2-부틸렌옥사이드 · 1,2-에폭시부탄 · 1-뷰텐 옥사이드 · 1,2-부텐산화물 · (S)-tert-butyldiMethyl(oxiran-2-ylMethoxy)silane · 2-Ethyloxirane · Epoxybutane
식별자 및 물리적 특성
| CAS No. | 106-88-7 |
|---|---|
| 분자식 | C4H8O |
| 평균 분자량 | 72.11 g/mol |
| 단동위원소 질량 | 72.05751488 g/mol |
| SMILES | CCC1CO1 |
| InChIKey | RBACIKXCRWGCBB-UHFFFAOYSA-N |
| PubChem CID | 7834 |
| ChEMBL | CHEMBL1378095 |
| ChEBI | CHEBI:82326 |
| EC No. | 203-438-2 |
| DTXSID | DTXSID6020569 |
| 현지명 | 1,2-부틸렌옥사이드 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 12.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 34.6 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Carcinogens |
| Polymers | Plastics & Rubber -> Epoxides |
| pH | Approximately 7 at 50 g/L at 20 °C7 (50g/l, H2O, 20℃) |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 0.68 (OECD Method 107) |
| 냄새 | Disagreeable odorSweetish, somewhat like butyric acid, and disagreeablePungent |
| 밀도 | 0.826 at 77 °F (USCG, 1999) - Less dense than waterwill float0.8297 g/cu cm at 20 °C0.83 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.30.8312 @ 20°C0.829 g/mL at 20 °C(lit.) |
| Viscosity | 0.40 mPa.s at 25 °C |
| Color/Form | Colorless liquid |
| 용해도 | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992)In water, 95.5 g/L at 25 °C (OECD Method 105)In water, 8.68 g/100 g water at 25 °CIn water, 59 g/L at 20 °CVery soluble in ethanol, acetonemiscible with etherMiscible with common aliphatic and aromatic solvents86.8g/L |
| 인화점 | 10 °F (NTP, 1992)-22 °C-7 °F (-22 °C) (closed cup)-22 °C c.c. |
| 끓는 점 | 145 °F at 760 mmHg (NTP, 1992)63.4 °C63.3 °C63.3 °C @760 [mm Hg]63 °C(lit.) |
| 녹는점 | -129.28°C |
| 증기 밀도 | 2.2 (vs air) |
| 증기압 | 140 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.384 |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | Colorless liquid with pungent odor |
| 색상 | 무색 내지 거의 무색 |
| 폭발한계 | 1.7-19%(V) |
| 용해도 | 86.8g/L at 25℃ |
| 비열 | Cp(liquid): 2.04 J/(g·K), at 25℃ |
| BRN | 102411 |
| 헨리 상수 | 5.5×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | Stable, but prone to polymerization - stabilizer may be added to neat liquid. Highly flammable. Incompatible with strong oxidizing agents, acids, bases, anhydrous metal halides, amino, hydroxyl and carboxyl-containing compounds. Inorganic acids and charcoal may lead to polymerization. Heat, light and moisture sensitive. |
| InChI | 1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3 |
| InChIKey | RBACIKXCRWGCBB-UHFFFAOYSA-N |
| SMILES | CCC1CO1 |
| LogP(분배 계수) | 0.68 at 25℃ |
| EPA | 1,2-Butylene oxide (106-88-7) |
화학적 성질
1,2-Butylene oxide is a colorless mobile liquid with an unpleasant smell. This low boiling liquid has but limited water solubility, yet is miscible with most common organic solvents. It undergoes the usual reactions of epoxides with compounds having labile hydrogen atoms. Some of these are acids, amines, ammonia, alcohols, phenols, polyols, thiols, etc. Butylene oxide can be polymerized or copolymerized with other alkylene oxides to yield polyethers. The resulting polymers are less water soluble than the polymers made from ethylene and propylene oxide, of equivalent chain length.
안전 및 규제
| GHS 분류 | DangerH225: 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, 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)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1001) of reports.H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Oxirane, ethyl-Hazard Traits - CarcinogenicityCardiovascular ToxicityRespiratory ToxicityOxirane, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/138371,2-Epoxybutane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Oxirane, ethyl-: Environment tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Behavior in Fire: Containers may explode in fire. Use water to cool container from safe distance. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with oxidizing agents, acids or metal chlorides. |
| 화재 가능성 | Dangerous fire hazard when exposed to heat, flame or powerful oxidizers. |
| 건강 유해성 | Inhalation: intolerable odor and irritationrespiratory injury may occur at higher levels. Ingestion causes irritation of mouth and stomach. Contact with either liquid or vapor may cause burns of eyes. Liquid produces frostbite-type of skin burn if free to evaporate |
용도
용도
Intermediate for various polymers, stabilizer for chlorinated solvents.
일반 설명
A clear colorless volatile liquid with an ethereal odor. Flash point near 0°F. Density about 6.9 lb / gal. Soluble in water. Boiling point near 140°F. Flammable over a wide range of vapor-air concentrations. May polymerize with the evolution of heat and possible rupture of container if contaminated. Vapors irritate eyes, skin and respiratory system. Prolonged contact with skin may cause in delayed burns. Vapors are heavier than air. Used as an intermediate to make various polymers. Chemicals that polymerize are often stabilized by refrigeration.