2-헥사논

2-헥산온 · 2-헥사논 · 메틸n-부틸케톤 · 메틸부틸케톤 · 헥산-2-온 · Hexan-2-one · METHYL BUTYL KETONE · BUTYL METHYL KETONE

https://huagongshe.com/ko/chemical/11583

식별자 및 물리적 특성

CAS No.	591-78-6
분자식	C6H12O
평균 분자량	100.16 g/mol
단동위원소 질량	100.088815 g/mol
SMILES	CCCCC(C)=O
InChIKey	QQZOPKMRPOGIEB-UHFFFAOYSA-N
PubChem CID	11583
ChEMBL	CHEMBL195861
ChEBI	CHEBI:89206
EC No.	209-731-1
DTXSID	DTXSID0022068
현지명	2-헥사논

화학 및 물리적 성질

XLogP	1.4
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	7
형식 전하	0
복잡도	57.2
물질 분류	Flammable agents - 3rd degreeVolatile Organic Compound (VOC)
지질	Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Solvents	Solvents -> Ketones (<C12)
SpringerMaterials Properties	Boiling point
농약	Pesticide -> EPA IRIS
LogP(분배 계수)	log Kow = 1.38
냄새	Characteristic acetone like odor, but more pungent디프로필렌 글리콜 중 1.00%. 과일향 곰팡이 고기향 버터향
밀도	0.812 at 68 °F (USCG, 1999) - Less dense than waterwill float0.830 at 20 °C/20 °CRelative density (water = 1): 0.80.83 @ 20°C0.812 g/mL at 25 °C(lit.)
Viscosity	0.62 cP at 20 °C
Color/Form	Colorless liquid
용해도	10 to 50 mg/mL at 72 °F (NTP, 1992)1.4 wt% in water at 20 °CSol in acetonemiscible in ethanol and etherIn water, 1.72X10+4 mg/L at 20 °C17.5 mg/mL at 20 °CSolubility in water, g/100ml at 20 °C: 1.4아세톤, 에탄올 및 에테르에 용해됨(Weast, 1986)
인화점	73 °F (NTP, 1992)75 ° F25 °C (closed cup)95 °F (open cup)77 °F (25 °C) (Closed cup)23 °C c.c.
녹는점	-57 °C
끓는 점	127 °C(lit.)
증기압	10 mm Hg ( 39 °C)
굴절률	n20/D 1.401(lit.)
저장 조건	2-8°C
pKa(산도 계수)	-8.30 (quoted, Riddick et al., 1986)
물리적 상태	액체
색상	무색투명~연황색
향취 유형	과일 같은
후각 역치	0.024ppm
용해도	2g/100mL(20℃)
비열	Cp(liquid): 2.13 J/(g·K), at 25℃
Merck	14,6033
BRN	1737676
헨리 상수	24.4 at 37 °C (static headspace-GC, Bylaite et al., 2004)
유전율	14.6(15℃)
안정성	안정적인. 가연성. 산화제, 강염기, 환원제와 호환되지 않습니다.
주요 응용	청소용품화장품환경음식 및 음료개인 위생 관리
InChI	1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey	QQZOPKMRPOGIEB-UHFFFAOYSA-N
SMILES	CCCCC(C)=O
LogP(분배 계수)	1.380
NIST	2-Hexanone(591-78-6)
EPA	2-Hexanone (591-78-6)

화학적 성질

2-Hexanone is a colorless to pale yellow liquid with a sharp odor. It dissolves very easily in water and is miscible in ethanol, methanol, and benzene. 2-Hexanone evaporates easily into the air as a vapor. It is stable, flammable, and incompatible with oxidizing agents, strong bases, and reducing agents. 2-Hexanone is a waste product of wood pulping, coal gasifi cation, and oil shale operations. Formerly, 2-hexanone was in use as a paint and paint thinner with other chemical substances, and to dissolve oils and waxes.and is used as a solvent and organic syn- thesis intermediates. However, the industrial uses of 2-hexanone is now very much restricted.

안전 및 규제

GHS 분류	DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P303+P361+P353, P304+P340, P318, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
규제 정보	Chemical: 2-HexanoneHazard Traits - Developmental ToxicityNeurotoxicityReproductive ToxicityS - indicates a substance that is identified in a final Significant New Use Rule.2-Hexanone: HSNO Approval: HSR000981 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 - 2-Hexanone: Human health tier II assessment
운송 라벨(DOT)	Flammable Liquid
화재 위험	This chemical is flammable. (NTP, 1992)Flammable. Above 23 °C explosive vapour/air mixtures may be formed.
화재 가능성	Dangerous fire and explosion hazard when exposed to heat or flame ...
건강 유해성	Inhalation of high concentrations of vapor may result in narcosisperipheral neuropathy may develop. Ingestion of large amounts may cause some systemic injury. Contact with eyes causes mild to moderate irritation. Liquid irritates skinprolonged or repeated contact may cause defatting of the skin with resultant dermatitis. (USCG, 1999)
유해성 요약	2-Hexanone is also known as methyl n-butyl ketone, MBK, or propyl acetone. It is a clear, colorless liquid with a sharp odor. It dissolves very easily in water, and can evaporate easily into the air as a vapor. It was used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes. It is no longer made or used in the United States because it has harmful health effects. It is formed as a waste product resulting from industrial activities such as making wood pulp and producing gas from coal, and in oil shale operations.The peripheral neuropathy caused by n-hexane and methyl n-butyl ketone is due to the toxic intermediary metabolite, gamma-diketone 2,5-hexanedione. Both of these chemicals have been abused for their acute, euphoric effects. Occupational toxic polyneuropathy was recognized in the 1960s among workers in the shoe and adhesive industries. [LaDou, p. 430] MnBK causes testicular atrophy in male rats after exposure to 700 ppm for 11 weeks. [ACGIH]

용도

개요

2-Hexanone has been used as a solvent for both cellulose- and resin-based coating systems. In the early 1970s, a number of workers in the print department of a coated fabrics plant developed severe peripheral neuropathy from an unknown cause. In search of an etiological agent, and in the absence of other neurotoxicants, 2-hexanone was implicated as it was recently substituted for methyl isobutyl ketone in the manufacturing process. Similar observations in workers exposed to 2-hexanone may have resulted in the decline in production and use in the United States.

용도

2-Hexanone is used in various organic chemical syntheses. It is used in the synthesis of (+/-)-monomorine. It is also used in the preparation of alcohols by transfer hydrogenation of ketones.

일반 설명

A clear colorless liquid. Flash point 95°F. Less dense than water. Vapors heavier than air.

제조 및 합성 방법

생산 방법

MnBK can be produced by a reaction between acetic acid and ethylene under pressure MnBK can be produced by a reaction between acetic acid and ethylene under pressure.