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5,5-Dimethyl-1,3-cyclohexanedione 5,5-二甲基-1,3-环己二酮

规格: 99%

CAS: 126-81-8

产品编号: H88599

MDL: MFCD00001588

品牌: INFI

Chemical Name	5,5-Dimethyl-1,3-cyclohexanedione
Synonym	1,1-Dimethyl-3, 1,1-Dimethyl-3,5-cyclohexanedione 1,1-Dimethyl-3,5-diketocyclohexane 1,3-Cyclohexanedione, 5,5-dimethyl- 1,3-Cyclohexanedione,5,5-dimethyl- 3-Cyclohexanedione,5,5-dimethyl-1 3-二酮 5,5-DIMETHYL- 5,5-DIMETHYL-1,3-DIOXOCYCLOHEXANE 5,5-DIMETHYLDIHYDRORESORCINOL 5,5-Dimethyl-1,3-cyclohexanedione 5,5-Dimethylcyclohexan-1,3-dion 5,5-Dimethyldihydroresorcinol 5,5-Dimethyldinydroresorcinol 5,5-Dimethylhydroresorcinol 5,5-dimethyl-cyclohexa-1,3-dione Cyclomethone DIMEDON DIMETHYLDIHYDRORESORCINOL Methone 二甲基二氢间苯二酚双双美酮达米东达美酮醛试剂
Beilstein Registry Number	471489
PubChem Substance ID	31358
CAS Number	126-81-8
EC Number	204-804-4
MDL Number	MFCD00001588
Reaxys-RN	471489
Merck Number	3242
Chemical Name Translation	5,5-二甲基-1,3-环己二酮
LabNetwork Molecule ID	LN00199437
InChI	InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

GHS Symbol

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,28,1953

Personal Protective Equipment	Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECS	GV0345000
WGK Germany	2
Signal word	Warning
Safety Statements
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护； S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P305+P351+P338
Hazard Codes	Xi
Storage condition	2-8°C

Used in the synthesis of fused 3-methylfurans via furannulation.

{ALD} Beilstein:7,559

{ALFA} Undergoes an example of an oxidative addition of 1,3-dicarbonyl compounds, mediated by CAN (Cerium(IV) ammonium nitrate, A12882), to give an alkene, e.g. with 2-methyl-2-pentene, the product is a fused dihydrofuran derivative: J. Chem. Soc., Perkin 1, 187 (1995):

{ALFA} A comparative study has shown that CAN is superior to Mn(OAc)3 for this type of reaction: J. Chem. Soc., Perkin 1, 1487 (1996).

{uni_hamburg} Short: EINECS

{uni_hamburg} Short: III/5a

{ALFA} Classical reagent for the identification and isolation of aldehydes: J. Org. Chem., 11, 95 (1946).

{ALFA} For conditions leading to exclusive 2-monomethylation, see: Synth. Commun., 3, 347 (1973). For direct nitration at the 2-position, see review on ɑ-nitroketones: Synthesis, 261 (1980).

126-81-8 H88599 5,5-Dimethyl-1,3-cyclohexanedione
5,5-二甲基-1,3-环己二酮

化学属性

Mol. Formula	C8H12O2
Mol. Weight	140
Melting Point	146-148
TSCA	Yes
Density	1.016
Solubility	0.416 G/100 ML (25 ºC)
Boiling Point	164-166
Appearance	白色至绿黄色针状或柱状结晶。熔点148-149℃。溶于甲醇、乙醇、氯仿、苯、乙酸及50%醇水混合液。干燥结晶性质稳定，但其溶液甚至在遮光下也能分解氧化。该品溶液遇三氯化铁呈红色。
Stability	对光和热敏感

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

5,5-Dimethyl-1,3-cyclohexanedione 5,5-二甲基-1,3-环己二酮

规格: 99%

化学属性

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