CAS 504-02-9 MFCD00001585-1,3-Cyclohexanedione 1,3-环已二酮 -LabNovo

1,3-Cyclohexanedione 1,3-环已二酮

CAS 504-02-9 MFCD00001585

化学结构图

SMILES: O=C1CCCC(=O)C1

化学属性

Mol. Formula	C6H8O2
Mol. Weight	112.13
Melting Point	101-105°C
Density	1.1
TSCA	Yes
Solubility	可溶
Appearance	本品为无色固体，m.p.103～105℃，能溶于乙醇等溶剂。
Stability	对热和空气敏感
Boiling Point	235.1°C at 760 mmHg
pH	:A

别名和识别编码

Chemical Name	1,3-Cyclohexanedione
CAS Number	504-02-9
Alfabeta Name	CYCLOHEXANEDIONE 13-,
MDL Number	MFCD00001585
Synonym	Cyclohexane-1,3-dione {LY} Cyclohexane-1,3-dione {} {LY} Cyclohexane-1,3-dione {} {} {LY} Cyclohexane-1,3-dione {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexane-1,3-dione {} {} {}
PubChem Substance ID	87565770
Beilstein Registry Number	385888
EC Number	207-980-0
Merck Number	3178
Reaxys-RN	385888
Chemical Name Translation	1,3-环已二酮
LabNetwork Molecule ID	LN00174285
InChI	InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
Canonical SMILES	O=C1CC(CCC1)=O

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

用于有机合成。HPLC 标记

安全信息

Warnings IRRITANT

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

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

Signal word Warning

GHS Symbol

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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。
P301+P312+P330
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSGV0350000

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

Hazard statements

H302 Harmful if swallowed 吞食有害

其他信息

方法二:将间苯二酚与氢氧化钠溶液投入压热釜，加入镍催化剂，在50℃、70-100大气压通氢反应10-12h。然后降温、泄压，滤除催化剂，滤液用浓盐酸酸化，冷至0℃，滤出结晶，即1,3-环己二酮粗品。粗品用热苯重结晶，得成品。
用途二:1，3-环己基二酮是除草剂磺草酮、硝磺酮的中间体。
海关编码:29142900
F:8-21
用途三:用于有机合成。
下游产品:异补骨脂素 --> 恩丹西酮 --> 稀禾定 --> 5-[2-(乙硫基)丙基]-1,3-环己二酮 --> 四氢咔唑酮 --> 3-甲氧基-2-环己烯-1-酮 --> 5-氧代己酸
1,3-环己二酮价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 LA1110901 1,3-环己二酮 25g 220元 2011/04/16 C0682 1,3-环己二酮 1,3-Cyclohexanedione 250G 873元 2011/04/16 C0682 1,3-环己二酮 1,3-Cyclohexanedione 25G 240元
Acros Organics:1,3-环已二酮 1,3-Cyclohexanedione, 97%(504-02-9)
MSDS 信息:Dihydroresorcinol(504-02-9).msds
Sigma Aldrich:504-02-9(sigmaaldrich)
溶于水、乙醇、丙酮、氯仿和沸苯，微溶于乙醚和二硫化碳。
用途四:用于有机合成。HPLC 标记
方法一:其制备方法是用间苯二酚在兰尼镍催化剂存在下进行加氢反应而得到产品。
图谱信息:1,3-环己二酮(504-02-9)质谱(MS) 1,3-环己二酮(504-02-9)核磁图( 13 CNMR) 1,3-环己二酮(504-02-9)红外图谱(IR2) 1,3-环己二酮(504-02-9)红外图谱(IR3) 1,3-环己二酮(504-02-9)红外图谱(IR1)
TCI Shanghai:1,3-环己二酮[用于高效液相色谱标记] 1,3-Cyclohexanedione [for HPLC Labeling],>;98.0%(GC)(T)(504-02-9)
用途一:用作医药中间体
MOL 文件:504-02-9.mol
Alfa Aesar:1，3-环己二酮,97+%,maycont.upto1%NaCl 1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl(504-02-9)
上游原料:间苯二酚