식별자 및 물리적 특성
| CAS No. | 78-84-2 |
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| 분자식 | C4H8O |
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| 평균 분자량 | 72.11 g/mol |
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| 단동위원소 질량 | 72.05751488 g/mol |
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| SMILES | CC(C)C=O |
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| InChIKey | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
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| PubChem CID | 6561 |
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| ChEMBL | CHEMBL1404017 |
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| ChEBI | CHEBI:48943 |
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| EC No. | 201-149-6 |
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| DTXSID | DTXSID9021635 |
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화학 및 물리적 성질
| XLogP | 0.8 |
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| 극성 표면적 | 17.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 5 |
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| 형식 전하 | 0 |
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| 복잡도 | 30.6 |
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| 물질 분류 | Other Classes -> AldehydesFlammable agents - 3rd degree |
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| SpringerMaterials Properties | Coriolis coupling |
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| 향료 | Fragrance Ingredient (Isobutyraldehyde) -> IFRA transparency List |
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| LogP(분배 계수) | 0.7401.20.4 |
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| 냄새 | EXTREMELY SHARPPungent odor |
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| 맛 | FRUITY TASTE |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 밀도 | 0.791 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7938 @ 20 °C/4 °C0.8 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.20.783-0.7880.7938 @ 20°C0.7938 g/cm3 |
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| 향미제 | EU Flavoring substances |
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| Viscosity | 0.5382 cP @ 28.2 °C0.7 mm²/s at 28 °C |
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| Color/Form | Transparent, colorless liquid |
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| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)Miscible in ethanol, ether, carbon disulfide, acetone, benzene, toluene, and chloroform.Slightly soluble in carbon tetrachlorideIn water, 89,000 mg/l @ 25 °C.89 mg/mL at 25 °CSolubility in water, g/100ml at 20 °C: 6.7 (moderate) |
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| 녹는점 | -65.9 °C |
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| 끓는 점 | 64 °C |
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안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4104 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| 규제 정보 | Chemical: Propanal, 2-methyl-Regulation (EC) No 1831/2003 (amended)Propanal, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanal, 2-methyl- 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: 17-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14300Propanal, 2-methyl-: HSNO Approval: HSR001256 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.) |
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| 운송 라벨(DOT) | Flammable Liquid |
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| 화재 위험 | Behavior in Fire: Vapors are heavier than air and may travel considerable distance to a source of ignition and flash back. Fires are difficult to control due to ease of reignition. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
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| 화재 가능성 | A very dangerous fire hazard when exposed to heat, flame, or oxidizers. |
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| 건강 유해성 | Vapor is irritating to the eyes and mucous membranes. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
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| 유해성 요약 | A corrosive substance that can cause pulmonary edemaCan cause skin burnsCan cause severe burns to eyes[ICSC] Inhalation of high concentrations can cause CNS depression |
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