2,6-다이메틸헵타-2,5-디엔-4-올

한글명:2,6-다이메틸헵타-2,5-디엔-4-올

카스 번호504-20-1

상품명:2,6-Dimethyl-2,5-heptadien-4-one

CBNumberCB9351608

분자식C9H14O

포뮬러 무게138.21

MOL 파일504-20-1.mol

동의어(한글)

2,6-다이메틸헵타-2,5-디엔-4-올

화학적 성질

녹는점	23-26 °C(lit.)
끓는 점	198-199 °C(lit.)
밀도	0.885 g/mL at 25 °C(lit.)
증기 밀도	4.8 (vs air)
증기압	0.38 mm Hg ( 20 °C)
굴절률	n20/D 1.497(lit.)
인화점	175 °F
저장 조건	2-8°C
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
물리적 상태	단단한 모양
색상	밝은 노란색에서 노란색까지
Merck	7333
InChI	InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
InChIKey	MTZWHHIREPJPTG-UHFFFAOYSA-N
SMILES	C/C(/C)=C\C(=O)/C=C(\C)/C
CAS 데이터베이스	504-20-1(CAS DataBase Reference)
EPA	Phorone (504-20-1)

위험 및 안전 성명

WGK 독일

RTECS 번호

MI5500000

HS 번호

2914199090

NFPA 704:

	2
2		0

그림문자(GHS)

2,6-다이메틸헵타-2,5-디엔-4-올 화학적 특성, 용도, 생산

개요
2,6-Dimethyl-2,5-heptadien-4-one (DMHD4O) is an industrially important diene molecule chemically known as phorone or diisopropylidene acetone, available in the form of yellow to green liquid and yellowish green prisms. It is a self-condensation product of acetone and can also be obtained from camphor. In particular, it is used as a solvent for nitrocellulose, synthetic resins, fibers, coating compositions, stains, lubricant additives, odor-resistant agent production, and intermediate for organic and pharmaceutical synthesis[1]. This compound possesses the property of increasing the reactivity of enzymes involved in glutathione metabolism.
화학적 성질
Yellow liquid or yellow green prismatic crystal
용도
Diisopropylidene Acetone is a reagent used in the preparation of biaryls by Suzuki-Miyaura cross coupling reaction.
일반 설명
A yellowish liquid with a solvent-like odor. Density 7.3 lb / gal. Very low vapor pressure (0.38 mm Hg at 68°F). Flash point 185°F. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.
공기와 물의 반응
Slightly soluble in water.
반응 프로필
Ketones, such as 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
건강위험
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Safety Profile
Moderately toxic by subcutaneous route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ISOPHORON
Purification Methods
Crystallise phorone repeatedly from EtOH. [Beilstein 1 IV 3564.]

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