CAS 490-91-5 MFCD00001602-Thymoquinone 百里醌 TAO{mole}

Thymoquinone 百里醌

CAS 490-91-5 MFCD00001602

化学结构图

SMILES: CC1=CC(=O)C(C(C)C)=CC1=O

化学属性

Mol. Formula	C10H12O2
Mol. Weight	164.20
Boiling Point	230-232°C at 760 mmHg
Melting Point	45-47°C
Density	1.065
Flash Point	219 °F

别名和识别编码

Chemical Name	Thymoquinone
CAS Number	490-91-5
MDL Number	MFCD00001602
Synonym	Thymoquinone {LY} Thymoquinone {} {LY} Thymoquinone {} {} {LY} Thymoquinone {} {} {} {LY} Thymoquinone {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	10281
EC Number	207-721-1
Alfabeta Name	ISOPROPYLMETHYLBENZOQUINONE 2514-----,
Chemical Name Translation	百里醌
Reaxys-RN	1939047
Beilstein Registry Number	1939047
InChIKey	KEQHJBNSCLWCAE-UHFFFAOYSA-N
Wiswesser Line Notation	L6V DVJ B1 EY1&1
LabNetwork Molecule ID	LN00183817
InChI	InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
Canonical SMILES	O=C1C(C)=CC(C(C(C)C)=C1)=O

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品牌质保精细包装现货库存一流品牌服务

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H302 Harmful if swallowed 吞食有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

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

RTECSGU5330000

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。
P264+P265
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。
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。
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
P301+P317
P302+P352
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P317
P337+P317
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
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Warnings IRRITANT

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；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Hazard Codes Xn

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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 15,1227,1965

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 347,37,1995

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

不溶于水，溶于氯仿。
3,6-[對]【草(之上)+孟】二烯-2,5-二酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 T0795 百里醌 Thymoquinone 1G 500元
MOL 文件:490-91-5.mol
TCI Shanghai:百里醌 Thymoquinone,>;98.0%(GC)(490-91-5)
Sigma Aldrich:490-91-5(sigmaaldrich)
图谱信息:3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)红外图谱(IR1) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)核磁图( 13 CNMR) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)质谱(MS) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)核磁图( 1 HNMR) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)红外图谱(IR2)