식별자 및 물리적 특성
| CAS No. | 105-46-4 |
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| 분자식 | C6H12O2 |
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| 평균 분자량 | 116.16 g/mol |
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| 단동위원소 질량 | 116.08372962 g/mol |
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| SMILES | CCC(C)OC(C)=O |
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| InChIKey | DCKVNWZUADLDEH-UHFFFAOYSA-N |
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| PubChem CID | 7758 |
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| EC No. | 203-300-1 |
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| DTXSID | DTXSID0047612 |
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화학 및 물리적 성질
| XLogP | 1.7 |
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| 극성 표면적 | 26.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 78.6 |
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| 물질 분류 | Flammable agents - 3rd degree |
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| Solvents | Solvents -> Esters (<C12) |
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| LogP(분배 계수) | log Kow = 1.721.51 |
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| 냄새 | HAS FRUITY ODOR CHARACTERISTIC OF ACETATE ESTERSPleasant fruity odor |
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| 밀도 | 0.872 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8748 g/cu cm at 20 °CRelative density (water = 1): 0.870.862-0.866 @ 20°C |
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| 향미제 | EU Flavoring substances |
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| Color/Form | Colorless liquid |
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| 용해도 | 0.8 % (NIOSH, 2024)Miscible with alcohol and etherSoluble ethanol, ethyl etherslightly soluble in carbon tetrachlorideIn water, 6200 mg/L at 20 °CSolubility in water, g/100ml at 20 °C: 0.80.8% |
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| 인화점 | 62 °F (USCG, 1999)31 °C31 °C (88 °F) (open cup)62 °F (closed cup)17 °C c.c. |
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| 끓는 점 | 234 °F at 760 mmHg (USCG, 1999)112 °C112 °C @760 [mm Hg] |
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| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
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| 녹는점 | -100 °F (USCG, 1999)-98.9 °C-99 °C |
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안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 4.9% (16 of 325) of reports.H225 (94.8%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| 규제 정보 | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Acetic acid, 1-methylpropyl ester: HSNO Approval: HSR001093 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 | 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. |
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| 화재 가능성 | Flammable liquid. |
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| 건강 유해성 | Headaches, dizziness, nausea, irritation of respiratory passage and eyes. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
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| 유해성 요약 | A skin, eye, and respiratory tract irritantInhalation of high concentrations can cause CNS depression[ICSC] |
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| 운송 번호 및 가이드(DOT) | 1123 129 |
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| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
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| EC 분류 | Symbol: FR: 11-66S: (2)-16-23-25-29-33Note: C |
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| UN 분류 | UN Hazard Class: 3UN Pack Group: II |
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| TSCA 요건 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date 1/26/94 |
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