2-Methylpentanal 2-甲基戊醛

CAS 123-15-9 MFCD00006986

化学结构图

123-15-9
SMILES: CCCC(C)C=O

化学属性

Mol. FormulaC6H12O
Mol. Weight100
Autoignition Point390 °F
Refractive index1.3980 to 1.4020
Vapor Density3.45 (vs air)
Boiling Point119-120
Density0.808
Flash Point20°C(lit.)
TSCAYes
Melting Point-100°
Solubility微溶于水,可混溶于乙醇、及其它。

别名和识别编码

Chemical Name2-Methylpentanal
Synonym (±)-2-Methylpentanal 2-Ethylvaleraldehyd 2-Formylpentane 2-METHYL-N-VALERALDEHYDE 2-Methylpental 2-Methylpentanal 2-Methylvaleraldehyde 2-Methylvaleric aldehyde 2-methylpentaldehyde 2-甲基戊醛 2-甲基正戊醛 FEMA 3413 Pentanal, 2-methyl- a-Methylvaleraldehyde 2-Methylpentanal alpha-Methyl valeraldehyde alpha-Methylpentenal alpha-methylvaleraldehyde femanumber3413 n-C3H7CH(CH3)CHO α-Methylpentenal α-甲基戊醛
MDL NumberMFCD00006986
CAS Number123-15-9
PubChem Substance ID31245
EC Number204-605-2
Beilstein Registry Number1739423
Chemical Name Translation2-甲基戊醛
Reaxys-RN1739423
LabNetwork Molecule IDLN00226622
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {uni_hamburg} no charge; aldehyde; racemate; 1fragment
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 470 p., Hardcover RefComment: Written for Scientists and engineers in the fields of Physics, Chemistry and Physical Chemistry Abstract: Critically evaluated experimental data covering the densities of organic compounds are essential for both scientific and industrial applications. Knowledge of densities is important in many areas, including custody transfer of materials, product specification, development of various predictive methods, and for characterizing compounds and estimating their purity.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRZ6905000
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 2367
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R52/53
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • S37 Wear suitable gloves 戴适当手套;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Storage condition Air Sensitive
Hazard Codes 3 F;Xi
Hazard Class3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1500 ppm/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

其他信息

  • FEMA:3413
  • 图谱信息:2-甲基戊醛(123-15-9)核磁图( 13 CNMR) 2-甲基戊醛(123-15-9)红外图谱(IR1) 2-甲基戊醛(123-15-9)质谱(MS)
  • 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-甲基戊醛 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
  • 使用限量:FEMA:软饮料、冷饮、糖果、焙烤食品、胶冻、布丁、胶姆糖,均2.0mg/kg。
  • 用途一:用作生产安眠、镇定药物甲丙氨酯的中间体
  • 蒸气密度:3.45 (vs air)
  • 参考质量标准:FAO/WHO,2001 折射率(n D 20>) 1.412 含量(OT-6,当量因子e取50.80) ≥97% 相对密度 0.805~0.811
  • TCI Shanghai:2-甲基戊醛 2-Methylvaleraldehyde,>;95.0%(GC)(123-15-9)
  • 方法二:由丙醛缩合成α-甲基戊烯醛,再经催化加氢制得2-甲基戊醛。催化加氢反应在100℃、约1.4MPa压力下进行,收率80%。
  • MOL 文件:123-15-9.mol
  • F:9-23
  • 下游产品:甲丙氨酯 --> 2-甲基-2-丙基-1,3-丙二醇
  • 外观性质:无色液体。有果香味。
  • 毒性:GRAS(FEMA)。
  • 2-甲基戊醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 TM059601 2-甲基戊醛;2-甲基-1-戊醛; 甲基丙基乙醛 500ml 891元 2011/04/16 M0596 2-甲基戊醛 2-Methylvaleraldehyde 500ML 891元 2011/04/16 M0596 2-甲基戊醛 2-Methylvaleraldehyde 25ML 195元
  • 方法一:由2-甲基戊醇催化氧化而得。 由丙醛在碱性条件下缩合后氢化而得。
  • 上游原料:氢 --> 铝镍合金 --> 2-甲基-1-丁醇
  • MSDS 信息:α-甲基戊醛(123-15-9).msds
  • 香精香料应用:2-甲基戊醛天然存在于洋葱、韭菜、白面包、加工处理过的猪肉、烤牛肉、啤酒、咖啡、红茶中。香气特征描述:醚香、青香、蔬菜、果香香韵。味道特征描述:蔬菜、青香、果香类似葡萄味。用于配制水果果肉带葡萄香型食品、茶叶、蔬菜香韵食品等香精。
  • 敏感性:Air Sensitive
  • 用途三:该品是医药眠尔通及杀虫剂的中间体。
  • 用途二:GB 2760--1996规定为允许使用的食品用香料。
  • Alfa Aesar:2-甲基戊醛,98% 2-Methylvaleraldehyde, 98%(123-15-9)
  • Sigma Aldrich:123-15-9(sigmaaldrich)

系列性分类


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