이소 프로필 아세테이트
아이소프로필아세테이트 · 2-프로필아세트산 · 1-메틸에틸아세트산 · 2-아세톡시프로판 · ㅡ아세트산,이소프로필에스테르 · 아세트산,1-에티에틸에스테르 · 아세트산아이소프로필 · 이소프로필에탄오에이트
식별자 및 물리적 특성
| CAS No. | 108-21-4 |
|---|---|
| 분자식 | C5H10O2 |
| 평균 분자량 | 102.13 g/mol |
| 단동위원소 질량 | 102.06807956 g/mol |
| SMILES | CC(=O)OC(C)C |
| InChIKey | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| PubChem CID | 7915 |
| ChEMBL | CHEMBL1608674 |
| ChEBI | CHEBI:230546 |
| EC No. | 203-561-1 |
| DTXSID | DTXSID2025478 |
| 현지명 | 이소 프로필 아세테이트 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 66.5 |
| 물질 분류 | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| Solvents | Solvents -> Esters (<C12) |
| 화장품 | Cosmetic ingredients (Isopropyl Acetate) -> CIR (Cosmetic Ingredient Review)Solvent |
| SpringerMaterials Properties | Schoenflies notation |
| 향료 | Fragrance Ingredient (Isopropyl acetate) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 1.02 |
| 냄새 | Aromatic... Fruity odor.Quality: sweet, esterhedonic tone: pleasant to unpleasantPleasant-odored쾌적하고 과일 향이 나며 잔류감이 없습니다. |
| 맛 | ON DILUTION A SWEET APPLE-LIKE FLAVOR |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.874 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8718 @ 20 °C/4 °CDENSITY OF SATURATED AIR: 1.24 (AIR= 1)CONVERSION FACTORS: 1 MG/L= 240 PPM1 PPM= 4.17 MG/CU MSPECIFIC HEAT: 0.46 CAL/GBULK DENSITY: 7.17 LB/GAL @ 20 °CHEAT OF VAPORIZATION: 135 BTU/LBRelative density (water = 1): 0.880.856-0.862 (20 °C)0.872 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.49 CENTIPOISE @ 25 °C |
| 녹는점 | -73 °C |
| 끓는 점 | 88.8 °C |
| 증기 밀도 | 3.5 (vs air) |
| 증기압 | 47 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.377(lit.) |
| FEMA | 2926 | ISOPROPYL ACETATE |
| 인화점 | 62 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 1 M HCl: 가용성 50mg/mL, 투명하거나 약간 흐릿함, 무색 |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 폭발한계 | 1.8%, 37°F |
| 후각 역치 | 0.16ppm |
| 향취 유형 | 미묘한 |
| 생물학적 소스 | synthetic |
| 용해도 | 2.90g/100mL |
| 비열 | Cp(liquid): 1.95 J/(g·K), at 25℃ |
| JECFA Number | 305 |
| Merck | 14,5205 |
| BRN | 1740761 |
| 헨리 상수 | 3.3×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 안정성 | 안정적인. 가연성 - 인화점이 낮습니다. 강한 산화제, 강산, 질산염, 알칼리 금속과 호환되지 않습니다. 일부 플라스틱과 고무를 공격할 수 있습니다. |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 |
| InChIKey | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| SMILES | CC(C)OC(C)=O |
| LogP(분배 계수) | 1.03-1.18 at 20℃ |
| 표면장력 | 21.89mN/m at 298.15K |
| NIST | Acetic acid, 1-methylethyl ester(108-21-4) |
| EPA | Isopropyl acetate (108-21-4) |
화학적 성질
Isopropyl acetate is a colourless liquid with an intense, fruity odor. On dilution, it has a sweet apple-like flavor. Miscible with most organic solvents such as alcohols, ketones and ethers. 2.9% (w/w) soluble in water at 20°C. Synthesized by direct acetylation of isopropyl alcohol in the presence of various catalysts: concentrated H2S04, diethyl sulfate, chlorosulfonic acid, and boron trifluoride.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, 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 0.4% (12 of 3126) of reports.H225 (99.6%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Acetic acid, 1-methylethyl esterAcetic acid, 1-methylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 1-methylethyl ester 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: 14-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14777Acetic acid, 1-methylethyl ester: HSNO Approval: HSR001182 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.) |
| 기타 안전 정보 | IMAP assessments - Acetate esters (C2-C4): Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | KEEP AWAY FROM HEAT & OPEN FLAME ... Dangerous fire hazard when exposed to heat, flame, or oxidizers. Moderatedly explosive when exposed to heat or flame.Floats and mixes slowly with water. Flammable, irritating vapor is produced. |
| 건강 유해성 | Vapors irritate eyes and respiratory tracthigh concentrations can be anesthetic. Liquid irritates eyes but causes no serious injurymay cause dermatitisno serious effects if swallowed. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
용도
용도
이소 프로필 아세테이트는 주로 코팅제, 세정액, 인쇄 잉크, 화장품 및 퍼스널 케어 솔벤트, 향기 솔벤트에 사용됩니다.
용도
이소프로필 아세테이트 빠른 증발 용 매 이다. 빵 포장 등 플라스틱 필름을 위한 그 라 비아 인쇄 잉크에 사용 됩니다. 나머지는 코팅 및 접착제에서 많은 사용을 찾습니다.
출처
Reported found in pineapple, pear, cocoa, apple, banana, black currants, grapes, melons, strawberry, cheddar cheese, beer, white wine, red wine, cocoa, honey, soybean, yellow passion fruit, beans, plum brandy and nectarines
용도
Isopropyl acetate is used as a solvent for nitrocellulose, plastics, oils, and fats, and as a flavoring agent. Isopropyl Acetate is a widely used chemical solvent in organic and industrial syntheses. Also used in the dissolution of gallstones. Environmental contaminants; Food contaminants.
일반 설명
Isopropyl acetate appears as a clear colorless liquid. Flash point 40°F. Vapors are heavier than air. Contact with the material may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used as a solvent.
제조 및 합성 방법
제조 방법
Isopropyl acetate is prepared from propylene and anhydrous acetic acid in the presence of a catalyst . It may also be produced by direct acetylation of isopropyl alcohol in the presence of various catalysts; concentrated H2SO4, diethyl sulfate, chlorosulfonic acid and boron trifluoride.