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2,3-Butanedione 2,3-丁二酮

规格: 99%

CAS: 431-03-8

产品编号: H66041

MDL: MFCD00008756

品牌: INFI

Chemical Name	2,3-Butanedione
Synonym	2,3-Butanedione {LY} 2,3-Butanedione {} {LY} 2,3-Butanedione {} {} {LY} 2,3-Butanedione {} {} {} {LY} 2,3-Butanedione {} {} {} {} {} Biacetyl Diacetyl
CAS Number	431-03-8
PubChem Substance ID	650
EC Number	207-069-8
Beilstein Registry Number	605398
MDL Number	MFCD00008756
Reaxys-RN	605398
Merck Number	2966
Chemical Name Translation	2,3-丁二酮
Wiswesser Line Notation	1VV1
LabNetwork Molecule ID	LN00196838
InChI	InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Canonical SMILES	CC(C(C)=O)=O

GHS Symbol

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1580 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 990 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Behavioral - coma
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 7,571,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,765,1979

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 67,367,1979

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 76,809,1985

WGK Germany	2
Hazard Codes	3
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H331 Toxic if inhaled 吸入中毒 H302 Harmful if swallowed 吞食有害 H335 May cause respiratory irritation 可能导致呼吸道刺激 H318 Causes serious eye damage 严重伤害眼睛 H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
Personal Protective Equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, Faceshields, full-face respirator (US), Gloves, Heavyweight Gloves, multi-purpose combination respirator cartridge (US), Safety Clothing, type ABEK (EN14387) respirator filter
RTECS	EK2625000
Precautionary statements
P362+P364 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。 P319 P330 Rinse mouth. 漱口 P302+P352 P316 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。 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。 P304+P340 P301+P317 P403+P235 P403+P233 P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。 P405 Store locked up. 上锁保管。 P303+P361+P353 P501 Dispose of contents/container to..… 处理内容物/容器..... 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。 P242 Use only non-sparking tools. 只能使用无火花工具。 P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。 P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。 P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。 P305+P354+P338 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P370+P378 P332+P317 P264+P265
Signal word	Danger
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； S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
R11 Highly flammable 非常易燃 R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害 R41 Risk of serious damage to eyes 有严重损伤眼睛的危险 R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
UN Number	2346
Storage condition	2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {TCI} 0-10°C {} {} {} {} {TCI} 0-10 储存温度2-8℃ 密封阴凉保存。
Packing Group	II
Hazard Class	3
Warnings	危化品目录(2015)
Restrict	危险品

有机合成。生化研究，蛋白质中精氨酸残基的特殊修改试剂。乳油、咖啡、蜂蜜等用香料载体。明胶硬化剂。

{uni_hamburg} Short: II/25C

{ALF} Like 1,2-Cyclohexanedione, A14401, has been used by Ley's group in combination with trimethyl orthoformate and camphorsulfonic acid for the protection of trans-1,2-diols as cyclic diacetals. The method is particularly applicable to the carbohydrate field: Synlett, 793 (1996); J. Chem. Soc., Perkin 1, 2023 (1997). See also 9,10-Phenanthrenequinone, A11762.

{ALF} Sensitizer for the photochemical epoxidation of alkenes: J. Am. Chem. Soc., 98, 4193 (1976).

{SA} 2. J. Chem. Res. Synop. , 186, (1990)

{ALD} Beilstein:1,769

化学属性

Mol. Formula	C4H6O2
Mol. Weight	86
Refractive index	1.3930 to 1.3970
Boiling Point	88 °C
Density	0.961
Flash Point	7 °C
TSCA	Yes
Melting Point	-3°
Autoignition Point	345 °C
Vapor Density	3 (vs air)
Vapor Pressure	52.2 mmHg ( 20 °C)
Solubility	200 G/L (20 ºC)

*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

2,3-Butanedione 2,3-丁二酮

规格: 99%

化学属性

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