CAS 122-03-2 MFCD00006953-Cuminaldehyde, 97% 4-异丙基苯甲醛 TAO{mole}

Cuminaldehyde, 97% 4-异丙基苯甲醛

CAS 122-03-2 MFCD00006953

化学结构图

SMILES: CC(C)c1ccc(C=O)cc1

化学属性

Mol. Formula	C10H12O
Mol. Weight	148
Refractive index	1.5290 to 1.5330
Boiling Point	240°C(lit.)
Density	0.981 g/mL at 20 °C
Flash Point	108°C(lit.)
TSCA	Yes
Solubility	不溶
Appearance	无色至淡黄色液体，有枯茗和桂皮似香气。沸点236℃，闪点93℃。溶于乙醇和乙醚，几不溶于水。遇铁变色。天然品存在于枯茗油(约30%)、桂皮油、肉桂油等50余种精油中。

别名和识别编码

Chemical Name	Cuminaldehyde, 97%
Synonym	3.6-DIAZAOCTANE-1.8-DIAMINE 枯名醛 Cuminaldehyde OIL 茴香甲醛 AKOS BBS-00003209 对异丙基苯醛 4-(2-propyl)benzaldehyde p-Cuminaldehyd Benzaldehyde, 4-(1-methylethyl)- Cuminal Cumic aldehyde 4-isopropyl-benzaldehyde 枯茗醛/对异丙基苯醛 Cumin aldehyde 对异丙基苯甲醛,枯茗醛 4-异丙基苯甲醛, TECH p-Isopropylbenzenecarboxaldehyde 4-ISOPROPYLBENZALDEHYDE P-CUMINALDEHYD p-Isopropylbenzenecarboxaldehyde 4-(1-methylethyl)benzaldehyde 4-Cuminol 對異丙苯甲醛 p-Cumic aldehyde 4-异丙基苯甲醛 p-Propylisobenzaldehyd Cuminyl aldehyde p-Cumic aldehyde p-Isopropylbenzaldehyde CUMINIC ALDEHYDE 4-CUMINOL 4-(1-methylethyl)-benzaldehyd Benzaldehyde, p-isopropyl- CUMINAL 4-iPr-Benzaldehyde 4-(1-methylethyl)-Benzaldehyde
CAS Number	122-03-2
PubChem Substance ID	326
EC Number	204-516-9
Beilstein Registry Number	7(3)1095
MDL Number	MFCD00006953
Reaxys-RN	636547
Merck Number	2621
Chemical Name Translation	4-异丙基苯甲醛
Wiswesser Line Notation	VHR DY1&1
LabNetwork Molecule ID	LN00193185
InChI	InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

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安全信息

GHS Symbol

WGK Germany2

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

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes Xn

RTECSCU7000000

Precautionary statements

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。
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
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
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
P302+P352+P332+P313+P362+P364
P305+P351+P338+P337+P313
P301+P312+P330

Signal word Warning

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R22 Harmful if swallowed 吞咽有害

Safety Statements

S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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；

Storage condition Air Sensitive

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1390 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - ulceration or bleeding from stomach
   Liver - other changes
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           : 2800 mg/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: 12,395,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2400 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   BIJOAK Biochemical Journal.  (Biochemical Soc. Book Depot, POB 32, Commerce
   Way, Colchester, Essex CO2 8HP, UK)  V.1-    1906- Volume(issue)/page/year:
   34,1196,1940

其他信息

下游产品:兔耳草醛
海关编码:29122900
参考质量标准:FCC，1997 含量 ≥95.0% 折射率n D 20 1.528～1.534 相对密度d 25 25 0.975～0.980 酸值(OT-4) ≤5.0 氯化物试验(OT-13) 阴性醇中溶解度 lml溶于4mL 70%乙醇
MOL 文件:122-03-2.mol
Acros Organics:4-异丙基苯甲醛 4-Isopropylbenzaldehyde, 98%(122-03-2)
上游原料:乌洛托品 --> 4-异丙基甲苯
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）枯茗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:122-03-2(sigmaaldrich)
不溶于水。
使用限量:FEMA(mg/kg)：软饮料3.1；冷饮3.2；糖果4.0；焙烤食品4.0；胶姆糖0.4～0.5；调味品3.0。适度为限(FDA§172．515，2000)。
Alfa Aesar:4-异丙基苯甲醛,tech.90% 4-Isopropylbenzaldehyde, tech. 90%(122-03-2)
TCI Shanghai:4-异丙基苯甲醛 Cuminaldehyde,>;97.0%(GC)(122-03-2)
用途一:用作香料制品、医药中间体
MSDS 信息:4-Isopropylbenzaldehyde(122-03-2).msds
方法一:由对异丙基苯氯与乌洛托品的水溶液或醇溶液共热而得。
4-异丙基苯甲醛价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 I0168 枯茗醛 Cuminaldehyde 25G 150元 2014/06/02 I0168 枯茗醛 Cuminaldehyde 500G 967元 2010/06/21 334880025 4-异丙基苯甲醛 4-Isopropylbenzaldehyde 98% 2.5 KG 6604元
FEMA:2341
用途二:GB 2760—1996规定为允许使用的食用香料。主要用于香辛料和浆果类香精。
图谱信息:4-异丙基苯甲醛(122-03-2)质谱(MS)
含量分析:按醛和酮测定法(OT-7)中方法二(叔丁醇法)测定。其中所取试样量为1g。在混合后应在室温下静置1h，然后进行滴定。计算中的当量因子(e)取74.11。
敏感性:Air Sensitive
毒性:GRAS(FEMA)。 LD 50 139.0mg/kg(大鼠，经口)。