펜타논-2
2-펜탄온 · 메틸프로필케톤 · 펜타논-2 · 2-펜타논 · PENTAN-2-ONE · METHYL PROPYL KETONE · MPK · 2-Pentanon
식별자 및 물리적 특성
| CAS No. | 107-87-9 |
|---|---|
| 분자식 | C5H10O |
| 평균 분자량 | 86.13 g/mol |
| 단동위원소 질량 | 86.07316494 g/mol |
| SMILES | CCCC(C)=O |
| InChIKey | XNLICIUVMPYHGG-UHFFFAOYSA-N |
| PubChem CID | 7895 |
| ChEMBL | CHEMBL45345 |
| ChEBI | CHEBI:16472 |
| EC No. | 203-528-1 |
| DTXSID | DTXSID0021888 |
| 현지명 | 펜타논-2 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 47.9 |
| 물질 분류 | Flammable agents - 3rd degree |
| 지질 | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
| Solvents | Solvents -> Ketones (<C12) |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (2-Pentanone) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 0.91 |
| 냄새 | Characteristic acetone-like odor디프로필렌 글리콜 중 1.00%. 달콤한 과일향이 나는 천상의 와인 바나나 우디 |
| 식품 첨가물 | ANTIOXIDANT, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.809 at 68 °F (USCG, 1999) - Less dense than waterwill float0.809 at 20 °C/4 °CRelative density (water = 1): 0.80.801-0.8060.810.801-0.806 @25 °C0.809 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.473 cp at 25 °C |
| Color/Form | Colorless liquidColorless to water-white liquid |
| 녹는점 | -78 °C (lit.) |
| 끓는 점 | 101-105 °C (lit.) |
| 증기압 | 27 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.39(lit.) |
| FEMA | 2842 | 2-PENTANONE |
| 인화점 | 45 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 물: 용해성72.6g/L @ 20°C (OECD 테스트 가이드라인 105) |
| 물리적 상태 | 액체 |
| 색상 | 무색 내지 거의 무색 |
| 폭발한계 | 1.56-8.70%(V) |
| 향취 유형 | 과일 같은 |
| 후각 역치 | 0.028ppm |
| 생물학적 소스 | synthetic |
| 용해도 | 43g/L(20℃) |
| 비열 | Cp(liquid): 2.14 J/(g·K), at 25℃ |
| JECFA Number | 279 |
| Merck | 14,6114 |
| BRN | 506058 |
| 헨리 상수 | 12.30 at 25.00 °C (headspace-GC, Straver and de Loos, 2005) |
| 유전율 | 16.8(14℃) |
| 안정성 | 안정적인. 인화성이 높으며 인화점이 낮습니다. 강염기, 산화제, 환원제와 호환되지 않습니다. |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 |
| InChIKey | XNLICIUVMPYHGG-UHFFFAOYSA-N |
| SMILES | CCCC(C)=O |
| LogP(분배 계수) | 0.857 at 20℃ |
| NIST | 2-Pentanone(107-87-9) |
| EPA | 2-Pentanone (107-87-9) |
화학적 성질
2-Pentanone has an ethereal, fruity odor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (6 of 1881) of reports.DangerH225 (31.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1881 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2-PentanoneRegulation (EC) No 1831/2003 (amended)2-Pentanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentanone 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: 12-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/114912-Pentanone: HSNO Approval: HSR001046 Approved with controlsThe 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | A highly flammable liquid. A very dangerous fire hazard when exposed to heat or flame ... |
| 건강 유해성 | Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)· Inhalation or contact with material may irritate or burn skin and eyes. |
| 유해성 요약 | Causes CNS depression and fatty degeneration of the liver after inhalation of high doses by experimental animalsA respiratory tract irritant[ACGIH] |
용도
출처
Reported found in wood spirit; also present in Ananas sativus; a few banana species, grapevines and some citrus fruits. Also reported found in over 120 foods and beverages including fresh apple, papaya, fresh blackberry, vinegar, wheaten bread, other types of bread, Swiss cheese, Camembert cheese, cheddar cheese, other cheeses, white wine, unprocessed rice, water yam, apricot, orange juice, guava, grapes, pear, pineapple, strawberry, asparagus, carrot, celery, peas, tomato, butter, yogurt, cream, milk powder, buttermilk, boiled egg, caviar, raw fish, cooked chicken and beef, pork fat, pork liver, hop oil, beer, cognac, rum, bourbon whiskey, white wine, cocoa, coffee, roasted filberts and peanuts, peanut oil, potato chips, oat flakes, honey, soybean, passion fruit, plum, beans, mushroom, starfruit, trassi, mango, globe artichoke, rice, soursop, malt, loquat, endive, shrimp, crab, lamb’s lettuce and cape gooseberry.
용도
2-Pentanone is used as a solvent for lacquers and surface coatings. It acts as a flavoring agent. It is also used as a solvent for cleaning and degreasing purpose. Further, it serves as an intermediate, paint additive and coating additive.
일반 설명
A clear colorless liquid with the odor of fingernail polish. Flash point 45°F. Less dense than water and soluble in water. Hence floats on water. Density 0.809 g / cm3. Vapors heavier than air.
제조 및 합성 방법
제조 방법
2-Pentanone was Prepared by dry distillation of a mixture consisting of calcium acetate and calcium butyrate; also by oxidation of sodium or ammonium n-caproate with H2O2.
생산 방법
MPK can be manufactured by oxidation of 2-pentanol, from ethylene and methyl acetoacetate, or by distillation of a mixture of calcium acetate and calcium butyrate. Commercial purity can be 90% MPK; however, some commercial materials are a mixture of MPK and diethylketone with small amounts of sec-amyl acetate.