2-Methylbutyraldehyde 2-甲基丁醛

CAS 96-17-3 MFCD00006984

化学结构图

96-17-3
SMILES: CCC(C)C=O

化学属性

Mol. FormulaC5H10O
Mol. Weight86
Density0.804
Refractive index1.3890 to 1.3930
Boiling Point90-92
Flash Point9°C(lit.)
TSCAYes
Appearance 天然品存在于黑茶麋子花、球茎甘蓝、乳酪、朗姆酒、烤花生等中。 无色至淡黄色液体。呈强烈窒息性气味,稀释后呈咖啡和可可香气,微带甜的水果和巧克力似风味。沸点93℃。微溶于水,溶于乙醇和丙二醇。闪点4℃,易燃。

别名和识别编码

Chemical Name2-Methylbutyraldehyde
CAS Number96-17-3
EC Number202-485-6
Beilstein Registry Number1633540
MDL NumberMFCD00006984
Synonym (RS)-2-Methylbutanal 2-Formylbutane 2-METHYLBUTANAL 2-METHYLBUTYRALDEHYDE 2-Methyl Butyraldehyde 2-Methyl-1-butanal 2-Methylbutanal 2-Methylbutyraldehyde 2-Methylbutyric aldehyde 2-methyl-butana 2-methyl-butyraldehyd 2-甲基丁缩醛醛,96% 2-甲基丁醛 Butanal,2-methyl-,(±)- Butyraldehyde, 2-methyl- FEMA 2691 METHYL ETHYL ACETALDEHYDE Methylethylacetaldehyde alpha-Methylbutanal alpha-Methylbutyric aldehyde alpha-methylbutyricaldehyde α-Methyl-n-butanal α-Methylbutyraldehyde α-Methylbutyric aldehyde 右旋2-甲基丁醛 异戊醛 消旋2-甲基丁醛
PubChem Substance ID87572264
Reaxys-RN1633540
Chemical Name Translation2-甲基丁醛
InChIKeyBYGQBDHUGHBGMD-UHFFFAOYSA-N
Wiswesser Line NotationVHY2&1
LabNetwork Molecule IDLN00224442
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
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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, Flavors and Fragrances, Halal Certified P
  • {SA} Alphabetical Listings, Flavors and Fragrances,
  • {SNA} Aldehydes, Allium cepa (Onion), Building Blocks, C1 to C6, Carbonyl Compounds,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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.
  • 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

安全信息

Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • 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;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36 Irritating to eyes 刺激眼睛
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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P332+P313
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSES3400000
Packing GroupII
UN Number 3371
Storage condition 0-10°C Air Sensitive Flammables area
Hazard Codes 3 F;Xi
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5730 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 10/5/1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,739,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >20 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,739,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 14000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 10/5/1972

其他信息

  • Acros Organics:2-Methylbutyraldehyde, 98%(96-17-3)
  • 使用限量:FEMA(mg/kg):软饮料1.5~2.0;冷饮2.0~8.0;糖果6.6;焙烤食品5.7。
  • FEMA:2691
  • 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
  • 方法一:由杂醇油分离得仲丁基甲醇氧化而得。 由甲基丁酸还原而得。
  • 敏感性:Air Sensitive
  • MOL 文件:96-17-3.mol
  • Sigma Aldrich:96-17-3(sigmaaldrich)
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。用于朗姆酒、巧克力、咖啡、香蕉、面包、番茄等香精。
  • F:10-23
  • 图谱信息:2-甲基丁醛(96-17-3)质谱(MS) 2-甲基丁醛(96-17-3)红外图谱(IR1) 2-甲基丁醛(96-17-3)核磁图( 13 CNMR) 2-甲基丁醛(96-17-3)核磁图( 1 HNMR)
  • 毒性:可安全用于食品(H)A,§172.515,2000)。
  • 2-甲基丁醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0166 2-甲基丁醛 2-Methylbutyraldehyde 500ML 1810元 2014/06/02 M0166 2-甲基丁醛 2-Methylbutyraldehyde 25ML 218元 2010/06/21 304472500 2-甲基丁醛 2-Methylbutyraldehyde 95% 250 ML 3441元
  • Alfa Aesar:2-甲基丁醛,96% 2-Methylbutyraldehyde, 95%(96-17-3)
  • 参考质量标准:FAO/WHO,1998;FCC,1996 含量(GT-10-4非极性柱) ≥97.0% 酸值(OT-4) ≤10.0 折射率(n D 20 ) 1.388~1.393 相对密度(d 25 25 ) 0.799~0.804
  • TCI Shanghai:2-甲基丁醛 2-Methylbutyraldehyde,>;95.0%(GC)(96-17-3)
  • MSDS 信息:2-Methylbutyraldehyde(96-17-3).msds
  • 上游原料:杂醇油
  • 概述:2-甲基丁醛又称为2-甲基丁醛、甲基乙基乙醛、2-甲基丁(烷)醛,英文名称为isobutyralbegyde、2-methyl butanal-1,分子式C5H10O,相对分子质量86.13,沸点93℃,相对密度d2020=0.800。微溶于水、溶于乙醇和丙二醇。FEMA编号为2691。常温下为无色液体。天然存在于黑茶藨子花、球茎甘兰、瑞士乳酪、苹果、黑加仑、朗姆酒、烤花生、小豆蔻、葡萄、番木瓜、土豆、切达干酪中。香气特征描述:强烈的窒息性气味,辣、霉气,稀释后有独特的可可和咖啡的香气,甜的、微带水果味的、坚果、糠醛类似异戊醛、麦芽、发酵香韵,巧克力样的风味。用于调配日用及食用香精。可以从发酵得到的杂醇油中分离出来的仲丁基甲醇进行氧化作用而制备。啤酒生产从原料粉碎开始至过滤结束都是不与氧隔绝,老化啤酒中不但烟碱乙酯、庚醛和糠醛的含量增加,而且3-甲基-丁醛和γ-椰子醛也有明显的增加。因此,2-戍酮、2-庚酮和2-甲基-丁醛被认为是麦汁制造过程中氧摄入的指示剂。

系列性分类