2,3-Butanedione, 98% 2,3-丁二酮

CAS 431-03-8 MFCD00008756

化学结构图

431-03-8
SMILES: CC(=O)C(C)=O

化学属性

Mol. FormulaC4H6O2
Mol. Weight86.09
Refractive index1.3930 to 1.3970
Boiling Point88
Density0.981
Flash Point7.22°C
TSCAYes
Melting Point-3°
Autoignition Point345 °C
Vapor Density3 (vs air)
Vapor Pressure52.2 mmHg ( 20 °C)
Solubility200 G/L (20 ºC)

别名和识别编码

Chemical Name2,3-Butanedione, 98%
Synonym 2,3-Butanedione {LY} 2,3-Butanedione {} {LY} 2,3-Butanedione {} {} {LY} 2,3-Butanedione {} {} {} {} Biacetyl Diacetyl
CAS Number431-03-8
PubChem Substance ID650
EC Number207-069-8
Beilstein Registry Number605398
MDL NumberMFCD00008756
Reaxys-RN605398
Merck Number2966
Chemical Name Translation2,3-丁二酮
Wiswesser Line Notation1VV1
LabNetwork Molecule IDLN00196838
InChIInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Canonical SMILESCC(C(C)=O)=O
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分类

  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} A-B, A-C, A-F, A-L, Additional Standards, Alcoholic & Nonalcoholic Beverages, Alcohols, Aliphatic, Alpha Sort, Analytical Standards, Animal Products, Blackberry, Butter, Cabbage, Chemical Class, Chromatography, Coffee, Cranberry, Dairy Products, Environmental Standards, Flavor and Fragrance Standards,

产品应用

  • 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。

相关文献及参考

  • Short: II/25C
  • 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.
  • Sensitizer for the photochemical epoxidation of alkenes: J. Am. Chem. Soc., 98, 4193 (1976).
  • 2. J. Chem. Res. Synop. , 186, (1990)
  • Beilstein:1,769

安全信息

GHS Symbol
WGK Germany2
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
RTECSEK2625000
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 {} {} {TCI} 0-10°C {} {} {} {TCI} 0-10 储存温度2-8℃ 密封阴凉保存。
Packing GroupII
Hazard Class3
Warnings 危化品目录(2015)
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

Restrict 危险品

其他信息

  • 蒸气压:52.2 mm Hg ( 20 °C)
  • 急性毒性:口服- 大鼠 LD50: 1580 毫克/ 公斤; 口服- 小鼠 LD50: 250 毫克/ 公斤
  • 外观性质:微绿黄色液体,有强烈的气味。
  • {Chemica
  • 用途一:用于配制奶油香精,是生产吡嗪类香料的主要原料
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 使用限量:FEMA(mg/kg):软饮料2.5;冷饮5.9;糖果21;焙烤食品44;布丁类19;胶姆糖35;起酥油11。
  • 下游产品:1,4-丁二醇 --> 2,5-己二酮 --> 熊去氧胆酸 --> 2-氨基-6,7-二甲基-4-羟基他啶水合物 --> 2,3,5,6-四甲基吡嗪 --> 烯草酮 --> 十羟基二甲基丙烯酸酯 --> DL-酪氨酸 --> 3-羟基-2-丁酮 --> 2,3-二甲基吡嗪 --> C. I.
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 方法一:可从含量高的精油中用游离法制得:精油1份加2份磷酸,使生成结晶性加成物C4H6O2?2H3PO4,加水后即释出丁二酮,如磷酸加入过量则加成物为液体。 由葡萄糖经特殊发酵获得。 用甲乙酮为起始原料合成。 将丁酮在盐酸存在下用亚硝酸钠氧化后,用硫酸水解后蒸馏而得。
  • 类别:易燃液体
  • {Ch
  • 蒸气密度:3 (vs air)
  • 用途二:GB 2760一96规定为暂时允许使用的食用香料。主要用于配制奶油、干酪发酵风味和咖啡等型香精。
  • 用途三:主要是用于配制食品用香精,是奶油香精的主要香料,也可用于牛奶、乳酪及其他一些香味中。如在浆果、焦糖、巧克力、咖啡、樱桃、香荚兰豆、蜂蜜、可可、果香、酒香、烟香、朗姆、坚果、杏仁、生姜等等。还可微量用于化妆用鲜果香或新型香精中。
  • 上游原料:乙醇 --> 硫酸 --> 亚硝酸钠 --> 2-丁酮 --> 二氧化硒 --> 稀硫酸 --> 丁烯酮 --> 香味 --> 乙烯基乙炔 --> 酮肟 -
  • Sigma Aldrich:431-03-8(sigmaaldrich)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 丁二酮 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 图谱信息:2,3-丁二酮(431
  • Alfa Aesar:2,3-丁烷二酮,99% 2,3-Butanedione, 99%(431-03-8)
  • 参考质量标准:FAO/WHO,1997 含量 ≥95.0% 折射率 D 20 1.393~1.397 凝固点 -2.0~--4.0℃ 相对密度d 25 25 0.975~0.990
  • 毒性:ADI尚未规定(FAO/WHO,1994)。 GRAS(FEMA;FDA,§184.1278,2000)。
  • 海关编码:29141990
  • 方法二:在自然界,丁二
  • 含量分析:按醛和酮测定法(OT-7)中方法一(羟胺法)测定。所取试样量为500mg。计算中的当量因子(e)取21.52。 宜按GT-10-4中用非极性柱测定。
  • F:13
  • TCI Shanghai:二乙酰 Diacetyl,>;98.0%(GC)(431-03-8)
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • Acros Organics:2,3-丁二酮(双乙酰) 2,3-Butanedione, 99%(431-03-8)
  • 有苯醌气味,极稀水溶液有特殊的白脱油香。蒸气有似氯气味。能与乙醇、乙醚和丙二醇等大多数非挥发性溶剂混溶,微溶于甘油和水,不溶于矿物油。易燃。低毒,半数致死量(大鼠,经口)1580mg/kg。有刺激性。

系列性分类