2-Methyl butyric acid 2-甲基丁酸

CAS 116-53-0 MFCD00002669

化学结构图

116-53-0
SMILES: CCC(C)C(=O)O

化学属性

Mol. FormulaC5H10O2
Mol. Weight102.13
Refractive indexn20/D 1.405(lit.)
Density0.936
Flash Point74°C
TSCAYes
Boiling Point176-177°C at 760 mmHg
Vapor Pressure0.5 mmHg ( 20 °C)
Appearance 无色液体。沸点177℃，84℃（2.8kPa），相对密度（20/17℃）0.938，折光率（nD20）1.4055。溶于水、乙醇、乙醚。 无色半透明液体，具有干酪和果香味，密度 0.936,熔点 -70°C,沸点 176-177°C ,折射率 1.4045-1.4065,闪点 77°C,水溶性 45 g/L (20°C)
Melting Point-70 °C
Solubility45 g/L (20 °C)

别名和识别编码

Chemical Name2-Methyl butyric acid
MDL NumberMFCD00002669
CAS Number116-53-0
Reaxys-RN1098537
Beilstein Registry Number1098537
PubChem Substance ID8314
EC Number204-145-2
Synonym DL-2-Methylbutyric acid {LY} DL-2-Methylbutyric acid {} {LY} DL-2-Methylbutyric acid {} {} {LY} DL-2-Methylbutyric acid {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-2-Methylbutyric acid
Chemical Name Translation2-甲基丁酸
LabNetwork Molecule IDLN00226157
InChIInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
Canonical SMILESCC(C(=O)O)CC
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certif
  • {SNA} Alphabetical Listings, Certified Food Grade Products,
  • {SNA} Alphabetical Listings,

相关文献及参考

  • Beilstein:2,305

安全信息

RTECSEK7897000
UN Number 3265 UN3265
Signal word Danger
Precautionary statements
  • 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。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • 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。
  • P301+P312
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403+P235
  • P404 Store in a closed container. 贮存于密闭容器中。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H302 Harmful if swallowed 吞食有害
  • H302+H312
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H318 Causes serious eye damage 严重伤害眼睛
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
GHS Symbol
WGK Germany1
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupII
Hazard Codes 8 C
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1460 uL/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Behavioral - ataxia
   Gastrointestinal - other changes
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,171,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1870 uL/kg
TOXIC EFFECTS :
   Gastrointestinal - changes in structure or function of salivary glands
   Gastrointestinal - hypermotility, diarrhea
   Musculoskeletal - other changes
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,171,1992

其他信息

  • 含量分析:准确称取试样的1.0g，移入一盛有75～100ml水的250ml三角烧瓶中，加酚酞试液，用0.5mol/L氢氧化钠液滴定至开始出现粉红色并保持15s。每mL0.5mol/L氢氧化钠液相当于本品51.06mg。
  • 方法一:2-氯丁烷制成格氏试剂，再与二氧化碳反应，反应混合物用25%硫酸解，生成2-甲基丁酸。收率76-86%。
  • 用途二:GB 2760--1996规定为允许使用的食品用香料。用于配制乳酪、奶油、巧克力等香精。
  • 参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥98.0% 折射率(n D 20 ) 1.404～1.408 相对密度(d 25 25 ) 0.932~0.936 醇中溶解度 lml溶于1mL 95%乙醇
  • Acros Organics:2-甲基丁酸 DL-2-Methylbutyric acid, 98%(116-53-0)
  • 2-甲基丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0181 DL-2-甲基丁酸 DL-2-Methylbutyric Acid 500ML 708元 2014/06/02 M0181 DL-2-甲基丁酸 DL-2-Methylbutyric Acid 25ML 223元 2010/06/21 185641000 2-甲基丁酸 DL-2-Methylbutyric acid 98% 100 GR 581元
  • Sigma Aldrich:116-53-0(sigmaaldrich)
  • 上游原料:杂醇油 --> 甲基乙基丙二酸
  • 毒性:可安全用于食品(FDA，§172．515，1994)。
  • 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） 2-甲基丁酸 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
  • MSDS 信息:DL-2-Methylbutyric acid(600-07-7).msds
  • 使用限量:FEMA(mg/kg)：软饮料0.5；冷饮1.0；糖果5.0。
  • TCI Shanghai:DL-2-甲基丁酸 DL-2-Methylbutyric Acid,>;95.0%(GC)(T)(116-53-0)
  • FEMA:2695
  • Alfa Aesar:2-甲基丁酸,98% 2-Methylbutyric acid, 98%(116
  • F:13
  • 上游原料:格氏试剂 --> 2-甲基丁酸 -->
  • 图谱信息:2-甲基丁酸(116-53-0)质谱(MS) 2-甲基丁酸(116-53-0)核磁图( 1 HNMR) 2-甲基丁酸(116-53-0)红外图谱(IR1) 2-甲基丁酸(116-53-0)红外图谱(IR2)
  • 2-甲基丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 M0181 DL-2-甲基丁酸 DL-2-Methylbutyric Acid 500ML 1020元 2011/04/16 M0181 DL-2-甲基丁酸 DL-2-Methylbutyric Acid 25ML 320元 2010/06/21 185641000 2-甲基丁酸 DL-2-Methylbutyric aci
  • 方法一:由杂醇油氧化而得。 由甲基乙基丙二酸
  • Sigma Aldrich:600-07-7(sigmaaldrich)
  • MSDS 信息:2-Methyl butyric acid(11
  • MOL 文件:116-53-0.mol
  • 用途一:有机合成中间体。
  • 用途一:用于调配食用、烟用和日化香精
  • 上游原料:格氏试剂 --> 2-甲基丁酸 --> 氯代仲丁烷

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Carthamus tinctorius (Safflower oil) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids