CAS 123-11-5 MFCD00003385-4-Methoxybenzaldehyde 4-甲氧基苯甲醛 TAO{mole}

4-Methoxybenzaldehyde 4-甲氧基苯甲醛

CAS 123-11-5 MFCD00003385

化学结构图

SMILES: COc1ccc(C=O)cc1

化学属性

Mol. Formula	C8H8O2
Mol. Weight	136.15
Boiling Point	248°C at 760 mmHg
Density	1.119
Melting Point	-1°C
Refractive index	1.5710 to 1.5750
Flash Point	130°C(lit.)
TSCA	Yes
Vapor Density	4.7 (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 Name	4-Methoxybenzaldehyde
CAS Number	123-11-5
Alfabeta Name	METHOXYBENZALDEHYDE 4-
MDL Number	MFCD00003385
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 Number	471382
EC Number	204-602-6
PubChem Substance ID	87562095
Merck Number	663
Reaxys-RN	471382
Chemical Name Translation	茴香醛
Wiswesser Line Notation	VHR DO1
LabNetwork Molecule ID	LN00121655
InChI	InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Canonical SMILES	O=CC1=CC=C(OC)C=C1

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品牌质保精细包装现货库存一流品牌服务

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。

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, sto

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。