Heptaldehyde 庚醛

CAS 111-71-7 MFCD00007028

化学结构图

111-71-7
SMILES: CCCCCCC=O

化学属性

Mol. FormulaC7 H14 O
Mol. Weight114.19
Density0.817 g/mL at 25 °C(lit.)
Refractive index1.4110 to 1.4140
Boiling Point
Melting PointNo Data Available
Flash Point-
TSCAYes
Solubility微溶于水,溶于乙醇、乙醚。
Stability易吸潮

别名和识别编码

Chemical NameHeptaldehyde
MDL Number-
CAS Number111-71-7
EC Number203-898-4
Beilstein Registry Number1(2)750
Synonym 1-HEPTALDEHYDE 1-HEPTANAL 1-Heptanal ALDEHYDE C-7 Aldehyd C7 ENANTHAL ENANTHALDEHYDE Enanthaldehyde Enanthic aldehyde FEMA 2540 FEMA 2541 HE HEPTYL ALDEHYDE Heptaldehyde Heptanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87570483
Merck Number4658
Reaxys-RN1560236
Chemical Name Translation庚醛
Wiswesser Line NotationVH6
LabNetwork Molecule IDLN00226173
Canonical SMILES-
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

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} Aldehydes,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, Flavors and Fragrances, G-H, H-J, Halal Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, Flavors and Fragrances, Follows IFRA Guidelines,

相关文献及参考

  • Short: II/27B
  • Merck:14,4658 Beilstein:1(2)750
  • Merck:14,4658
  • Short: III/35C1

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • 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;
  • 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;
  • 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;
  • 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;
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
  • R50/53
  • R38 Irritating to skin 刺激皮肤
Precautionary statements
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
RTECSMI6900000
Packing GroupIII
UN Number UN 3056 3/PG 3 UN3056 3056
Storage condition +4°C 4 4°C 4°C, Inert atmosphere 4℃ Flammables area Hygroscopic 储存温度2-8℃
Hazard Codes Xi,N Xi
Hazard Class3
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533620

TYPE OF TEST            : LD5

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533620

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533620

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >18400 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory stimulation
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534501

Restrict 危险品

其他信息

  • 用途一:用于有机合成及庚醇制备
  • 含量分析:按醛测定法(OT-6)分析。所取试样量为700 mg。计算中的当量因子(e)取57.10。 或按GT-10-4气相色谱中用非极性柱方法测定。
  • 下游产品:10-十一烯酸 --> 庚酸 --> 正庚醇 --> alphs-戊基-gama-丁内酯 --> 甲位戊基桂醛 --> 2-壬烯酸甲酯 --> 10-十一烯醛 --> (E,E)-2,4-十一烷二烯醛 --> 戊基肉桂醇 --> 辛酸甲酯 --> 壬烯酸甲酯
  • 图谱信息:庚醛(111-71-7)红外图谱(IR2) 庚醛(111-7
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 使用限量:FEMA(mg/kg):软饮料4.9;冷饮1.2;糖果2.0;焙烤食品2.6;酒类4.0。 适度为限(FDA§172.515,2000)。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 用途三:GB 2760~96规定为暂时允许使用的食用香料。主要用于配制柑橘类、蔬菜类和瓜类香精。
  • 庚醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LB2383004 庚醛 97% 1L 630元 2011/04/16 H0025 庚醛 Heptanal 25ML 170元 2011/04/16 H0025 庚醛 Heptanal 500ML 650元
  • Acros Organics:庚醛 Heptaldehyde, stabilized, 95%(111-71-7)
  • 急性毒性:口服- 大鼠 LD50: 14000 毫克/ 公斤; 口服- 小鼠 LD50:2000 毫克/ 公斤
  • 类别:易燃液体
  • FEMA:2540
  • 毒性:GRAS(FEMA)。 LD 50
  • 敏感性:Hygroscopic
  • 有果子香味。能与乙醇,乙醚混溶,溶于3倍体积的60%乙醇,微溶于水。
  • TCI Shanghai:庚醛 Heptanal,>;95.0%(GC)(111-71-7)
  • 方法一:由蓖麻子油经加热分解后减压蒸馏而得。
  • 参考质量标准:FCC,1996;FAO/WHO,1997 含量 ≥92.
  • MSDS 信息:正庚醛(111-71-7).msds
  • 用途四:庚醛是合成香料的重要原料,可用于制取庚醇、庚酸酯类等。庚醛与苯甲醛在水、醇溶液中缩合可得茉莉醛。庚醛与原甲酸三乙酯在酸性催化剂存在下反应,可制得庚醛二乙缩醛([688-82-4])。茉
  • 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) 庚醛 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
  • Sigma Aldrich:111-71-7(sigmaaldrich)
  • 上游原料:氢氧化钾 --> 亚硫酸氢钠 --> 蓖麻油 --> 玫瑰油 --> 蓖麻油酸 --> 10-烯酸甲酯 --> 紫苏叶油 --> 蓖麻酸甲酯
  • 用途五:庚醛(111-71-7)是制
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • 方法二:庚醛含于玫瑰油和紫苏油里,1845年首次用蓖麻油热解合成出来。蓖麻油中含有蓖麻酸甘油酯,在固体苛性钾存在下于室温用甲醇醇解得到蓖麻酸甲酯。用硫酸酸化反应产物,蒸出甲醇,分出甘渍层,用水洗涤得到蓖麻酸甲酯。将其在450-500℃,0.05-0.07MPa下于热解炉中进行裂解,即得十一烯酸甲酯和庚醛。将热解产物同树脂物分开,并进行真空精馏,分离得到十一烯酸甲酯(香料重要中间体十一烯酸的原料)以及庚醛。庚醛用亚硫酸氢钠和碳酸钠提纯得到含量≥88%的纯品,每吨庚醛需消耗蓖麻油约5.5t。

系列性分类