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Acetylacetone 乙酰丙酮

规格: 99%

CAS: 123-54-6

产品编号: H16316

MDL: MFCD00008787

品牌: INFI

Chemical Name	Acetylacetone
Synonym	2,4-戊二酮 ACETYLPROPIONYL 乙基丙酮 METHYL ETHYL DIKETONE 乙酰丙酮,戊间二酮 2,4-Dioxopentane Pentanedione-2,4 DIACETYLMETHANE 2,4-Diketopentane 2,4-PENTADIONE 4-戊二酮二乙酰基甲烷 pentane-2,4-dione 二乙酰基甲烷;2,4-戊二酮 2,4-PENTANEDIONE Acetone, acetyl- 2,4-戊烷二酮 ACAC 2,4-Pentadione 2-Propanone, acetyl- 乙酰丙酮 2,4-Pentandione 乙酰丙铜乙醯丙酮 2,4-戊二酮 AcAc AcAc
CAS Number	123-54-6
PubChem Substance ID	87574324
EC Number	204-634-0
Beilstein Registry Number	741937
MDL Number	MFCD00008787
Reaxys-RN	741937
Merck Number	81
Chemical Name Translation	乙酰丙酮
Wiswesser Line Notation	1V1V1
LabNetwork Molecule ID	LN00195358
InChI	InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

GHS Symbol

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533573

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 810 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 9,133,1986

TYPE OF TEST            : LD50 - Le

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 55 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - rigidity (including catalepsy)
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(10),88,19

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,343,1949

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 694 ppm/6h/5D
REFERENCE :
   TIHEEC Toxicology and Industrial Health.  (Princeton Scientific Pub. Co.,
   POB 2155, Princeton, NJ 08540)  V.1-    1985-  Volume(issue)/page/year:
   5,463,1989

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 80 mg/L
REFERENCE :
   EPASR* United States Environmental Protection Agency, Office of Pesticides
   and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
   Washington, DC 20460)  History unknown.  Volume(issue)/page/year:
   8EHQ-0386-0595

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 398 ppm/6H
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TIHEEC Toxicology and Industrial Health.  (Princeton Scientific Pub. Co.,
   POB 2155, Princeton, NJ 08540)  V.1-    1985-  Volume(issue)/page/year:
   6,461,1990

WGK Germany	1
Hazard Codes
Hazard statements
H226 Flammable liquid and vapour 易燃液体和蒸气 H331 Toxic if inhaled 吸入中毒 H302 Harmful if swallowed 吞食有害 H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECS	SA1925000
Precautionary statements
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 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 P501 Dispose of contents/container to..… 处理内容物/容器..... P307+P311 P304+P340+P312 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。 P302+P352+P312 P403+P233 P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。 P301+P312+P330 P241+P242+P243 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P303+P361+P353 P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。 P370+P378 P301+P312 P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。 P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。 P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P304+P340+P311 P273 Avoid release to the environment. 避免释放到环境中。 P308+P311
Signal word	Danger
Safety Statements
S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾； S21 When using do not smoke 使用时，禁止吸烟； S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触； 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；
Risk Statements
R10 Flammable 易燃 R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害 R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性 R22 Harmful if swallowed 吞咽有害 R11 Highly flammable 非常易燃
UN Number
Packing Group	III
Hazard Class	3/6.1
Storage condition	密封阴凉避光保存。 2-8°C
Warnings	危化品目录(2015)
Restrict	危险品

An indicator for the complexometric titration of Fe(III)

{SA} 3. H.F. Gilbert, M.H. O'Leary Biochim. Biophys. Acta 483 , 79, (1977) 摘要

{ALD} Merck: 14,81

{SA} 4. H. Blakeotwell et al. Biochim. Biophys. Acta 568 , 297, (1979) 摘要

{ALF} A simple procedure for the synthesis of methyl ketones involves alkylation at the 3-position with an alkyl halide using K2CO3 in EtOH, with in situ acetyl cleavage: Org. Synth. Coll., 5, 767 (1973). Knoevenagel condensation with aldehydes in THF in the presence of K2CO3 also occurs with acetyl cleavage, providing a simple route to alkenyl ketones: Chem. Lett., 1325 (1978). With K2CO3 and TBAB, selective one-pot monoalkylation or dialkylation with different alkyl groups can be achieved: Synthesis, 688 (1989). 3-Arylation with aryl bromides takes place in the presence of Cu(I) or Cu(II) salts in DMF: Chem. Lett., 597 (1982); Org. Synth. Coll., 6, 36 (1988).

{ALF} Strong bases, e.g. NaNH2, form the dianion which reacts with electrophiles, e.g. alkyl halides, esters, acyl halides, Michael acceptors, etc., at the less-stabilized terminal carbon: J. Org. Chem., 26, 1716 (1961); Tetrahedron Lett., 357 (1970); J. Org. Chem., 39, 2289 (1974); Org. Synth. Coll., 5, 848 (1973). For arylation at the 1-position, see Diphenyliodonium chloride, A15149. For reviews of dimetallation, see: Org. React., 17, 155 (1969); Synthesis, 509 (1977).

{uni

{ALD} Merck: 14,81

Beilstein:1,777

{SA} Merck 14 ,81

化学属性

Mol. Formula	C5H8O2
Mol. Weight	100
Refractive index	1.4500 to 1.4540
Boiling Point	133-135
Density	0.975
Melting Point	-23
Flash Point	34°C(lit.)
TSCA	Yes
Autoignition Point	662 °F
Vapor Density	3.5 (vs air)
Vapor Pressure	6 mmHg ( 20 °C)
Solubility	Soluble in water (160 g/L) at 20 °C, ether, acetone, glacial acetic acid, and miscible in benzene,ethanol, diethyl ether, chloroform, toluene and carbon disulfide, Insoluble in Glycerin.
Stability	对光敏感

*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

Acetylacetone 乙酰丙酮

规格: 99%

化学属性

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