3,5,5-Trimethylhexanal 3,5,5-三甲基己醛

CAS 5435-64-3 MFCD00010441

化学结构图

5435-64-3
SMILES: CC(CC=O)CC(C)(C)C

化学属性

Mol. FormulaC9H18O
Mol. Weight142.24
Refractive index1.4200 to 1.4230
Boiling Point167°C
Density0.817 g/mL at 25 °C(lit.)
Flash Point46°C(lit.)

别名和识别编码

Chemical Name3,5,5-Trimethylhexanal
CAS Number5435-64-3
PubChem Substance ID87576758
EC Number226-603-0
MDL NumberMFCD00010441
Reaxys-RN1740882
Synonym 3,5,5-TRIMETHYLHEXANALDEHYDE 3,5,5-trimethylcapronaldehyde 3,5,5-Trimethylhexanal 拂地醛 3,5,5-三甲基己醛 Isononylaldehyde 3,5,5-TRIMETHYLHEXANAL Trimethylhexanal VANDOR B 3,5,5-trimethyl-hexana ISONONYL ALDEHYDE Isonylaldehyde tert-Butylisopentanal 3,5,5-TRIMETHYLHEXANAL 90+% 3,5,5-Trimethylcapronaldehyde hexanal,3,5,5-trimethyl- 3 5 5-TRIMETHYLHEXANAL 95+% 3,5,5-Trimethyl n-hexanal ISONONYLALDEHYD FEMA 3524
Chemical Name Translation3,5,5-三甲基己醛
Beilstein Registry Number1740882
LabNetwork Molecule IDLN00339023
InChIInChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
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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} A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, Q-Z
  • {SNA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-D,

相关文献及参考

  • Beilstein: 1,III,2894

安全信息

GHS Symbol
WGK Germany1
Hazard Codes Xn Xi
Hazard statements
  • H226 Flammable liquid and vapour 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
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMN7820000
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
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P352
  • P303+P361+P353
  • P305+P351+P338
  • 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)。
  • P332+P313
  • P333+P313
  • P337+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning {} {} {} {} {} {} {} {TCI}
UN Number 1989 UN 1989 3/PG 3
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;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐:立即求医并出示该容器或标签;
Risk Statements
  • R10 Flammable 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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R52/53
Packing GroupIII
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3240 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:
   20,841,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2500 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:
   20,841,1982

其他信息

  • 参考质量标准:FCC,1996;FAO/WHO,1998 含量(GT-10-4) ≥97.0% 酸值(OT-4) ≤5.0 折射率(n D 20 ) 1.419~1.424 相对密度(d 25 25 ) 0.817~0.823
  • TCI Shanghai:3,5,5-三甲基己醛 3,5,5-Trimethylhexanal,>;90.0%(GC)(5435-64-3)
  • 使用限量:FEMA(mg/kg):软饮料3.0;冷饮2.0;胶凝制品、布丁,7.0;糖果12.0;焙烤制品20.0;胶姆糖40.0。
  • MOL 文件:5435-64-3.mol
  • Sigma Aldrich:5435-64-3(sigmaaldrich)
  • 3,5,5-三甲基己醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0940 3,5,5-三甲基己醛 3,5,5-Trimethylhexanal 500ML 861元 2014/06/02 T0940 3,5,5-三甲基己醛 3,5,5-Trimethylhexanal 25ML 137元
  • FEMA:3524
  • 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) 3,5,5-三甲基己醛 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
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 毒性:GRAS(FEMA)。 LD 50 3.2g/kg(大鼠,口授)。

系列性分类


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