CAS 92-48-8 MFCD00006875-6-Methylcoumarin 6-甲基香豆素 TAO{mole}

6-Methylcoumarin 6-甲基香豆素

CAS 92-48-8 MFCD00006875

化学结构图

SMILES: Cc1ccc2oc(=O)ccc2c1

化学属性

Mol. Formula	C10H8O2
Mol. Weight	160.17
Density	1.422
Boiling Point	304.6°C at 760 mmHg
Melting Point	75-76°C
TSCA	Yes
Flash Point	303°C/725mm
Appearance	白色结晶性固体。具有椰子似香甜气。沸点303℃(99.66kPa)，熔点73～76℃，闪点67.2℃。溶于苯、热的乙醇和非挥发性油，难溶于热水。

别名和识别编码

Chemical Name	6-Methylcoumarin
CAS Number	92-48-8
Alfabeta Name	METHYLCOUMARIN 6-
MDL Number	MFCD00006875
EC Number	202-158-8
Beilstein Registry Number	4222
Synonym	6-Methylcoumarin {LY} 6-Methylcoumarin {} {LY} 6-Methylcoumarin {} {} {LY} 6-Methylcoumarin {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	87572281
Chemical Name Translation	6-甲基香豆素
Reaxys-RN	4222
Wiswesser Line Notation	T66 BOVJ H1
LabNetwork Molecule ID	LN00180516
Canonical SMILES	O=C1C=CC2=CC(C)=CC=C2O1

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安全信息

Warnings IRRITANT

Signal word Danger

GHS Symbol

WGK Germany3

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
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；
S36/37 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；
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）；

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
R42/43

Precautionary statements

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
P332+P313
P342+P311
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H317 May cause an allergic skin reaction 可能导致皮肤过敏
H302 Harmful if swallowed 吞食有害
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

RTECSGN7792000

Hazard Codes Xn

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: 14,605,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1680 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: 14,605,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 253 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 76,186,1956

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3 umol/plate
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,707,1983

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 2500 umol/L
REFERENCE :
   HEREAY Hereditas (Lund, Sweden).  (Gjoerloffsgatan 121, S-261 34 Landskrona,
   Sweden)  V.1-    1947-  Volume(issue)/page/year: 69,35,1971

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

图谱信息:6-甲基香豆素(92-48-8)核磁图( 13 CNMR) 6-甲基香豆素(92-48-8)红外图谱(IR2) 6-甲基香豆素(92-48-8)Raman光谱 6-甲基香豆素(92-48-8)核磁图( 1 HNMR) 6-甲基香豆素(92-48-8)质谱(MS) 6-甲基香豆素(92-48-8)红外图谱(IR1)
用途四:用作有机合成中间体和香料。该品是我国 GB 2760-86规定为允许使用的食用香料，主要用以配制椰子、香草和焦糖等型香精。
含量分析:用气相色谱法分析(GT-10-4)。条件为：柱长1.6m，内径3.0mm，材料为玻璃；填料为改进的聚乙二醇20M(SPl000)4％，柱载体为100/120目硅藻土载体。载气为氦，流量50ml/min。检测器FID，检测器温度250℃。进样温度为250℃。柱温：等温段200℃，温升5℃/min。终温250℃。
用途二:用于有机合成、香料和化妆品的配制
TCI Shanghai:6-甲基香豆素 6-Methylcoumarin,>;99.0%(GC)(92-48-8)
用途三:GB 2760—96规定为允许使用的食用香料。主要用以配制椰子、香草和焦糖等型香精。
上游原料:磺酸 --> 2-羟基苯甲醛 --> 富马酸 --> 丙酸酐 --> 丙酸钠 --> 香豆素-3-羧酸
Sigma Aldrich:92-48-8(sigmaaldrich)
MOL 文件:92-48-8.mol
方法一:由6-甲基香豆素-3-羧酸在300～340℃下加热脱羧基而得。由对甲酚二磺酸与富马酸在硫酸存在下缩合而成。由对溴水杨醛与丙二酸在苯胺存在下缩合后加热以形成内酯。由水杨醛与丙酸酐和丙酸钠作用而成。
MSDS 信息:6-Methyl-2H-chromen-2-one(92-48-8).msds
FEMA:2699
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） 6-甲基香豆素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
毒性:GRAS(FEMA)。 LD 50 1680 mg/kg(大鼠，经口)。
Acros Organics:6-甲基香豆素 6-Methylcoumarin, 99+%(92-48-8)
方法二:由对甲酚与反丁烯二酸作用而得。将72%的硫酸预热至80℃，加入反丁烯二酸与对甲酚的混合物，在160-170℃保温反应3-4h，冷却，倒入碎冰中析出沉淀，过滤。滤液用苯提取，加收苯后将所得粗品进行减压蒸馏而得6-甲基香豆素。
6-甲基香豆素价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30116980 6-甲基香豆素;6-甲基苯并吡喃酮;6-甲基氧杂萘邻酮 100g 187元 2011/04/16 M0189 6-甲基香豆素 6-Methylcoumarin 25G 320元 2010/06/21 126570050 6-甲基香豆素 6-Methylcoumarin 99+% 5 GR 278元
使用限量:FEMA(mg/kg)：软饮料5.2；冷饮4.8；糖果21；焙烤食品24；布丁类39；胶姆糖0.80~15。
Alfa Aesar:6-甲基香豆素,99% 6-Methylcoumarin, 99%(92-48-8)
参考质量标准:FCC，1996 熔程73~76℃ 含量 ≥99.0% 醇中溶解度 1g溶于20mI。95%乙醇
用途一:用作香料