2-Phenylpropionaldehyde 2-苯基丙醛

CAS 93-53-8 MFCD00006973

化学结构图

93-53-8
SMILES: CC(C=O)C1CCCCC1

化学属性

Mol. FormulaC9H10O
Mol. Weight134.18
Refractive index1.5150 to 1.5190
Boiling Point201°C at 12 mmHg
Density1.002 g/mL at 25 °C(lit.)
Flash Point76.1°C
TSCAYes
Appearance 水白色至淡黄色液体。呈水仙花、青草叶子和瓜类似香气。沸点222℃,闪点69℃。Lml溶于1.5mL 70%乙醇,溶于大多数非挥发性油和矿物油,不溶于甘油,微溶于丙二醇。
Melting Point60 °C

别名和识别编码

Chemical Name2-Phenylpropionaldehyde
Synonym α-Tolualdehyde, α-methyl- 2-PHENYLPROPANOL aldehydhydratropovy Cumene aldehyde HYDRATROPALDEHYDE (±)-2-Phenylpropanal .alpha.-methyl-Benzeneacetaldehyde α-Methylphenylacetaldehyde alpha-Formylethylbenzene (±)-α-Phenylpropionaldehyde Hydratropaldehyde A-METHYLPHENYLACETALDEHYDE 2-Fenyl-1-propanal Hydratropic aldehyde A-METHYL-A-TOLUIC ALDEHYDE α-Methyl-α-toluic aldehyde α-Methyltolualdehyde PHENYLACETALDEHYDE, ALPHA-METHYL α-Formylethylbenzene ALPHA-PHENYLPROPIONALDEHYDE 2-PHENYLPROPANAL 2-PHENYLPROPIONALDEHYDE FEMA 2886 Hydratropa aldehyde Hydratropaaldehyd 2-Phenyl-1-propanal alpha-Methyl-alpha-toluic aldehyde TIMTEC-BB SBB007693 2-Phenylpropanal α-Methylbenzeneacetaldehyde DL-2-Phenylpropionaldehyd 2-Phenyl propionaldehyde Propionaldehyde, 2-phenyl- Aldehyd hydratropovy DL-2-Phenylpropionaldehyde Hydratopaldehyd 2-phenyl-propionaldehyd Hyacinthal 2-苯基丙醛 HYDRATROPIC ALDEHYDE (±)-Hydratropic aldehyde 2-phenyl-propionaldehyde alpha-Tolualdehyde, alpha-methyl- alpha-Methyl phenylacetaldehyde 氢化阿托醛 龙葵醛 alpha-Phenyl propionaldehyde
CAS Number93-53-8
PubChem Substance ID87574805
EC Number202-255-5
Beilstein Registry Number7,305
MDL NumberMFCD00006973
Chemical Name Translation2-苯基丙醛
Reaxys-RN1905601
Wiswesser Line NotationVHY1&R
LabNetwork Molecule IDLN00222007
InChIInChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
Canonical SMILESO=CC(C)C1=CC=CC=C1
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P, O-Z
  • Aldehydes, Building Blocks, C9, Carbonyl Compounds,
  • {uni_hamburg} no

相关文献及参考

  • Beil. 7 ,IV,695
  • Aldrich MSDS 1 , 1478:C / Arctander , 1696 / Corp MSDS 1 (2), 2794:A / FT-IR 2 (2), 2516:D / FT-IR 1 (2), 101:C / FT-NMR 1 (2), 925:C / Fenaroli , 668 / NMR-Reference 2 (2), 101:B / RegBook 1 (2), 1707:D / Sax 6 , 819 / Structure Index 1 , 271:D:1 / Vapor Phase 3 , 1280:A
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • 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

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H315 Causes skin irritation 会刺激皮肤
  • 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSCY1460000
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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen 0-10°C Air Sensitive Refrigerator {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, st
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
   Skin and Appendages - hair
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

其他信息

  • 下游产品:2-苯基-1-丙醇
  • 图谱信息:2-苯基丙醛 (93-53-8)质谱(MS) 2-苯基丙醛 (93-53-8)红外图谱(IR2) 2-苯基丙醛 (93-53-8)红外图谱(IR1) 2-苯基丙醛 (93-53-8)Raman光谱
  • FEMA:2886
  • 上游原料:氯乙酸乙酯 --> 乙酰苯 --> 苯基-1,2-乙二醇
  • 敏感性:Air Sensitive
  • MOL 文件:93-53-8.mol
  • F:9-23
  • Alfa Aesar:2-苯基丙醛,97% 2-Phenylpropionaldehyde, 97%(93-53-8)
  • 用途一:GB 2760--1996规定为允许使用的食用香料。主要用以配制瓜类、杏仁、樱桃、桃子、梅子等型香精。
  • 含量分析:按醛测定法(OT-6)测定。所取试样量为1g。计算中的当量因子(e)取67.09。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 参考质量标准:FCC,1996 含量 ≥95.0% 折射率(n D 20 ) 1.515~1.520 相对密度(d 25 25 ) 0.998~1.006 酸值(OT-4) ≤5.0
  • 毒性:GRAS(FEMA)。 LD 50 2800mg/kg(大鼠,经口)。
  • TCI Shanghai:2-苯基丙醛 2-Phenylpropionaldehyde,>;95.0%(GC)(93-53-8)
  • Sigma Aldrich:93-53-8(sigmaaldrich)
  • Acros Organics:2-苯基丙醛 DL-2-Phenylpropionaldehyde, 98%(93-53-8)
  • 方法一:由乙酰苯和氯乙酸乙酯在碱性条件下缩合而成。 由甲基苯基乙二醇在常压下蒸馏而得。
  • 使用限量:FEMA(mg/kg):软饮料0.61;冷饮0.30;糖果0.85;焙烤食品0.85。 适度为限(FDA§172.515,2000)。

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