p-Anisaldehyde 茴香醛

CAS 123-11-5 MFCD00003385

化学结构图

123-11-5
SMILES: COc1ccc(C=O)cc1

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Boiling Point248°C at 760 mmHg
Density1.119
Melting Point-1°C
Refractive index1.5710 to 1.5750
Flash Point130°C(lit.)
TSCAYes
Vapor Density4.7 (vs air)
Solubility不溶
Stability对空气敏感,对湿度敏感
pH:A

别名和识别编码

Chemical Namep-Anisaldehyde
CAS Number123-11-5
Alfabeta NameMETHOXYBENZALDEHYDE 4-
MDL NumberMFCD00003385
Synonym 4-Methoxybenzaldehyde {LY} 4-Methoxybenzaldehyde {} {LY} 4-Methoxybenzaldehyde {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number471382
EC Number204-602-6
PubChem Substance ID87562095
Merck Number663
Reaxys-RN471382
Wiswesser Line NotationVHR DO1
LabNetwork Molecule IDLN00121655
Chemical Name Translation茴香醛
InChIInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Canonical SMILESO=CC1=CC=C(OC)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} Aldehydes,
  • {SNA} Aldehydes, Bioactive Small Molecules, Boswellia carterii, Building Blocks, C8, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ephedra sinica, M, Nutrition Research, Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb),
  • {SNA} A, Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Stains & Dyes, A to Z, Stains and Dyes, 细胞生物学,

产品应用

  • 香料。医药工业用于制造抗微生物的药物羟氨苄基青霉素等,是抗组织胺药物的中间体。

相关文献及参考

  • Diols, under acid catalysis, can be protected as 4-methoxybenzylidene cyclic acetals, hydolyzed ca 10x faster by acid than the benzylidene acetal: J. Am. Chem. Soc., 84, 430 (1962). Cleavage with Ce(IV): J. Chem. Soc., Chem. Commun., 2010 (1984), hydrogenolysis: Tetrahedron Lett., 32, 6155 (1991), or DibalH: Tetrahedron Lett., 28, 3835 (1987); Tetrahedron: Asymmetry, 6, 2319 (1995) have also been reported. See also 4-Methoxybenzaldehyde dimethyl­ acetal, A15793.
  • Merck: 14,663
  • Merck: 14,663 Beilstein: 8,IV,252
  • [1]. Showler AT , et al. Effects of the Botanical Compound p-Anisaldehyde on Horn Fly (Diptera: Muscidae) Repellency, Mortality, and Reproduction. J Med Entomol. 2018 Jan 10;55(1):183-192.

安全信息

Warnings IRRITANT, AIR SENSITIVE
WGK Germany1
RTECSBZ2625000
Hazard Codes F,T Xn Xn,Xi,T,F
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Danger
GHS Symbol
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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性:吸入,皮肤接触和吞食都会产生十分严重的不可逆危险
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • 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
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
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P303+P361+P353
  • P403+P233
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P304+P340
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air & Light Sensitive Refrigerator {} {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 {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H370 Causes damage to organs 导致器官损伤
  • H301+H311+H331
  • H319 Causes serious eye irritation 严重刺激眼睛
UN Number UN 3316 9/PG 2 2924
Packing GroupII
Hazard Class3/8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1260 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1859 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - necrotic changes
   Gastrointestinal - other changes
   Liver - fatty liver degeneration
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 58(8),20,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1510 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,823,1974

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 206,17,1988

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 7020 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 203,155,1988

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 3560 umol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 3,193,1988

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 上游原料:亚硫酸氢钠 --
  • {
  • 毒性分级:中毒
  • 刺激数据:皮肤-兔子 500 毫克/24小时 中度
  • 产品描述:对甲氧基苯甲醛(Anisic aldehyde)又称为茴香醛、4-甲氧基苯甲醛、对茴香醛、大茴香醛,常温下为无色至淡黄色液体,具有类似山楂的气味.密度1.123g/cm3(20℃).熔点2℃.沸点249.5℃.折射率1.5731.难溶于水(在水中溶解度为0.3%),微溶于丙二醇、甘油,易溶于乙醇、乙醚、丙酮、氯仿等大多数有机溶剂.能随水蒸气挥发.在自然界中存在于茴香油、小茴香油、莳萝油、金合欢花、香荚兰浸膏中,经氧化分离提取得到.合成方法有:(1)由苯酚用硫酸二甲酯进行甲基化,然后再经氯甲基化、水解等反应制得;(2)由对甲基苯酚经甲基化,再氧化而得;(3)由对羟基苯甲醛甲基化得到。主要用作山楂、葵花、紫丁香等香精的香基,新刈草、银白金合欢花、金合欢、香水草等香精的调合香料,铃兰香精的助香剂,桂花香精的修饰剂。以对甲氧基苯甲醛与吡咯为原料、丙酸为溶剂、氯乙酸为催化剂,合成四(对甲氧基苯基)卟啉及其钴配合物。作为无氰镀锌DE添加剂的优良光亮剂,它能在较宽的电流范围内提高阳极极化,获得光亮镀层,为环保创造有利条件。医药工业用于制造抗微生物的药物羟氨苄基青霉素等,是抗组织胺药物的中间体。我国GB2760-86规定为允许使用的食用香料。主要用以配制香草、香辛料、
  • 用途四:该品具有持久的山楂香气。在山楂花、葵花、紫丁香香精中作主体香料;在铃兰香精中作香剂;在桂花香精中作修饰剂,也可用于日用香精和食品香精。该品是我国 GB2760-86规定为暂时允许使用的食用香料,主要用以配制香草、香辛料、杏、奶油、茴香、焦糖、樱桃、巧克力、胡桃、树莓、草莓、薄荷等型香精。与蜜橘等的精油配合,效果很好。作为无氰镀锌DE添加剂的优良光亮剂,它能在较宽的电流范围内提高阳极极化,获得光亮镀层,
  • 急性毒性:口服-大鼠 LD50: 1510 毫克/公斤; 口服-豚鼠 LD50: 1260 毫克/公斤
  • FEMA:2670
  • Alfa Aesar:4-甲氧基苯甲醛,98% 4-Methoxybenzaldehyde, 98%(123-11-5)
  • 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) 大茴香醛 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
  • 检测方法:GC,NMR
  • 下游产品:茴香脑 --> (3,5-二甲氧基苯基)乙酸 --> 氟氰戊菊酯 --> D(-)-对羟基苯甘氨酸 --> 对羟基苯甘氨酸 --> 5-(4-甲氧苯基)-2,4-咪唑烷二酮 --> N-(4-甲氧基苄基)-N-甲胺 --> 4-甲氧基苄醇 --> Α-氨基-4-甲氧基苯乙酸 --> 对甲氧基肉桂酸辛酯
  • MOL 文件:123-11-5.mol
  • 含量
  • 毒性:ADI
  • 下游产品:茴香脑 --> (3,5-二甲氧基苯基)乙酸 --> 氟氰戊菊酯 --> D(-)-对羟基苯甘氨酸 --> 对羟基苯甘氨酸 --> 5-(4-甲
  • 用途五:香料。医药工业用于制造抗微生物的药物羟氨苄基青霉素等,是抗组织胺药物的中间体。
  • 对甲氧基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30113760 4-甲氧基苯甲醛;对甲氧基苯甲醛;对茴香醛;大茴香醛 100ml 64.4元 2011/04/16 A0480 对茴香醛 p-Anisaldehyde 500ML 830元 2011/04/16 A0480 对茴香醛 p-Anisaldehyde 25ML 155元
  • 上游原料:亚硫酸氢钠 --> 二氧化锰 --> 乌洛托品 -->
  • 使
  • 易溶于乙醇、乙醚、丙酮和氯仿等,溶于苯,不溶于水。能随水蒸汽挥发。

系列性分类


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