4-Methylbenzaldehyde 对甲基苯甲醛

CAS 104-87-0 MFCD00006954

化学结构图

104-87-0
SMILES: CC1CCC(C=O)CC1

化学属性

Mol. FormulaC8H8O
Mol. Weight120.15
Refractive index1.5450 to 1.5470
Boiling Point204-205°C at 760 mmHg
Density1.019
Flash Point72°C
TSCAYes
Melting Point-6°C
Solubility微溶于水，易溶于醇、醚。
Stability对空气敏感

别名和识别编码

Chemical Name4-Methylbenzaldehyde
Synonym p-Tolualdehyde {LY} p-Tolualdehyde {} {LY} p-Tolualdehyde {} {} {LY} p-Tolualdehyde {} {} {} {LY} p-Tolualdehyde {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number104-87-0
PubChem Substance ID87576872
EC Number203-246-9
Beilstein Registry Number385772
MDL NumberMFCD00006954
Reaxys-RN385772
Chemical Name Translation对甲基苯甲醛
LabNetwork Molecule IDLN00194750
InChIInChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Canonical SMILESCC1=CC=C(C=O)C=C1
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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, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O-Z, Q-Z
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Pr
  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O-Z, Q-Z, R-Z

相关文献及参考

  • Short: II/27B
  • Beilstein: 7,IV,672
  • Short: III/35D2

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
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSCU7034500
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。
  • 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+P330
  • P302+P352+P312+P362+P364
  • 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
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533443

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533443

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2200 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533443

TYPE OF TEST            : LD50 - Lethal dose, 50 percen

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533443

其他信息

  • 水溶性：0.25 g/L (25℃)
  • 海关编码:29122900
  • 下游产品:6-甲基异喹啉 --> 7-甲基异喹啉 --> 3-(4-甲苯)丙酸 --> 奥扎格雷
  • F:9-23
  • TCI Shanghai:对甲苯甲醛 p-Tolualdehyde,>;98.0%(GC)(104-87-0)
  • 参考质量标准:FCC，1996 含量 ≥97.0% 酸值(OT-4) ≤5.0% 折射率 1.542～1.548 相对密度 1.012～1.018 醇中溶解度 1ml溶于1mL 95%乙醇
  • 对甲基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 AT3560202 4-甲基苯甲醛;对甲基苯甲醛 100g 395元 2011/08/23 K8985001 4-甲基苯甲醛;对甲基苯甲醛 100ml 359元 2011/08/23 L0497802 对甲苯甲醛， 98% 100g 270元
  • 毒性:GRAS(FEMA)。
  • 使用限量:FEMA(mg/kg)：饮料11；冰淇淋16；糖果25；焙烤制品28；明胶和布丁8.3；胶姆糖430；樱桃制品1.0。
  • Acros Organics:对甲基苯甲醛 p-Tolualdehyde, 97%(104-87-0)
  • FEMA:3068
  • 存储注意事项:氮气保护
  • MSDS 信息:对甲苯醛(104-87-0).msds
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 上游原料:对二甲苯
  • 图谱信息:对甲基苯甲醛(104-87-0)核磁图( 1 HNMR) 对甲基苯甲醛(104-87-0)核磁图( 13 CNMR) 对甲基苯甲醛(104-87-0)质谱(MS) 对甲基苯甲醛(104-87-0)红外图谱(IR1) 对甲基苯甲醛(104-87-0)Raman光谱
  • Sigma Aldrich:104-87-0(sigmaaldrich)
  • 用途二:GB 2760—1996规定为允许使用的食用香料。主要用以配制果仁类香精。
  • 敏感性:Air Sensitive
  • MOL 文件:104-87-0.mol
  • 方法一:由对二甲苯氧化而得。
  • 外观性质:无色液体。
  • 用途一:是重要的有机合成中间体，用于香料、三苯甲烷染料等的合成
  • Alfa Aesar:对甲基苯甲醛,98% p-Tolualdehyde, 98%(104-87-0)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. Q-Z - Alphabetical Listings
  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. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes
  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. Aromatic aldehyde<including acetal,hemiacetal>
  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. Aldehydes
  6. C7
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)