CAS 104-87-0 MFCD00006954-4-Methylbenzaldehyde 对甲基苯甲醛 TAO{mole}

4-Methylbenzaldehyde 对甲基苯甲醛

CAS 104-87-0 MFCD00006954

化学结构图

SMILES: CC1CCC(C=O)CC1

化学属性

Mol. Formula	C8H8O
Mol. Weight	120.15
Refractive index	1.5450 to 1.5470
Boiling Point	204-205°C at 760 mmHg
Density	1.019
Flash Point	72°C
TSCA	Yes
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 Name	4-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 Number	104-87-0
PubChem Substance ID	87576872
EC Number	203-246-9
Beilstein Registry Number	385772
MDL Number	MFCD00006954
Reaxys-RN	385772
Chemical Name Translation	对甲基苯甲醛
LabNetwork Molecule ID	LN00194750
InChI	InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Canonical SMILES	CC1=CC=C(C=O)C=C1

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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°C, stored under nitro

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)