CAS 123-19-3 MFCD00009403-4-Heptanone 4-庚酮 TAO{mole}

4-Heptanone 4-庚酮

CAS 123-19-3 MFCD00009403

化学结构图

SMILES: CCCC(=O)CCC

化学属性

Mol. Formula	C7H14O
Mol. Weight	114
Refractive index	1.4060 to 1.4080
Boiling Point	143°C
Density	0.817 g/mL at 25 °C(lit.)
Melting Point	-33 °C (lit.)
Flash Point	37°C(lit.)
TSCA	Yes
Vapor Density	3.93 (vs air)
Vapor Pressure	5.2 mmHg ( 20 °C)
Solubility	4.6 G/L (20 ºC)

别名和识别编码

Chemical Name	4-Heptanone
Synonym	4-Oxoheptane Heptanon-4 (n-C3H7)2CO Butyrone METHYL N-PENTYL KETONE N-AMYL METHYL KETONE 二正丙基甲酮,二丙基酮,二丙基甲酮 FEMA 2544 Di-n-Propyl ketone Heptanone-4 2-庚酮 Dipropyl ketone 2-庚酮，甲基戊基甲酮庚酮 Di-n-propyl ketone DI-N-PROPYL KETONE Dipropylketon 2-HEPTANONE Propyl ketone DIPROPYL KETONE Di-n-propylketon GBL 二丙基甲酮 4-庚酮乳酮
CAS Number	123-19-3
PubChem Substance ID	87570496
EC Number	204-608-9
Beilstein Registry Number	1,699
MDL Number	MFCD00009403
Reaxys-RN	1699049
Merck Number	3345
Chemical Name Translation	4-庚酮
Wiswesser Line Notation	3V3
LabNetwork Molecule ID	LN00193780

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产品应用

有机合成。溶剂。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H332 Harmful if inhaled 吸入有害

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

Hazard Codes

RTECSMJ5600000

Signal word

Safety Statements

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
R10 Flammable 易燃
R20 Harmful by inhalation 吸入有害

Precautionary statements

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。
P332+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P403+P233
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P303+P361+P353
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P370+P378
P301+P310+P331
P304+P340+P312

UN Number UN 2710 3/PG 3 2710

Packing GroupIII

Storage condition 密封阴凉保存。 Flammables area

Hazard Class3

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5660 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2690 ppm/6H
TOXIC EFFECTS :
   Behavioral - sleep
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton,
   G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82.
   Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985.
   Volume(issue)/page/year: 2C,4764,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 271 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   37,56,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3730 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Vo

其他信息

职业标准:TWA 230 毫克/ 立方米； STEL 350 毫克/立方米
Sigma Aldrich:123-19-3(sigmaaldrich)
蒸气密度:3.94 (vs air)
MOL 文件:123-19-3.mol
有刺激性气味。有灼烧味及强折光性。能与乙醇和乙醚混溶。水中溶解度:4.6 g/l (20 C)。
方法一:由丁酸通过425℃木炭，然后通过500℃氧化铈或氧化钍而得；也可通过400～425℃氧化蒺而得。
用途二:食用香料。用于配制菠萝蜜、康酿克、香蕉、热带水果等型香精。
用途一:用作硝化纤维的溶剂，也用于有机合成
4-庚酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0039 4-庚酮 4-Heptanone 500ML 785元 2014/06/02 H0039 4-庚酮 4-Heptanone 25ML 130元 2010/06/21 146555000 4-庚酮 4-Heptanone 98% 500 ML 768元
Acros Organics:4-庚酮 4-Heptanone, 98%(123-19-3)
可燃性危险特性:遇明火、高温、强氧化剂可燃；燃烧排放刺激烟雾
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥99.0% 折射率(n D 20 ) 1.403～1.409 相对密度(d 20 20 ) 0.814～0.817
毒性分级:中毒
图谱信息:4-庚酮(123-19-3)红外图谱(IR1) 4-庚酮(123-19-3)核磁图( 13 CNMR) 4-庚酮(123-19-3)质谱(MS)
类别:易燃液体
储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
刺激数据:皮肤- 兔子 500 毫克/24小时轻度; 眼- 兔子 500 毫克/ 24小时轻度
下游产品:辛戊胺
急性毒性:口服- 大鼠 LD50: 3000 毫克/ 公斤; 静脉-小鼠 LD50： 271 毫克/公斤
毒性:GRAS(FEMA)。
灭火剂:泡沫、二氧化碳、干粉、砂土、1211
蒸气压:5.2 mm Hg ( 20 °C)
上游原料:炭黑 --> 丁酸 --> 硝酸钍水合物 --> 氧化铈
使用限量:FEMA(mg/kg)：无醇饮料7.8；冷饮11；糖果19；焙烤制品27.0；布丁及明胶制品0.60～8.0。 FDA，§172．515：适量为限。
Alfa Aesar:4-庚酮,98% 4-Heptanone, 98%(123-19-3)
MSDS 信息:二丙基甲酮(123-19-3).msds
FEMA:2546
外观性质:无色、透明、低挥发性并具有香味的液体。
TCI Shanghai:4-庚酮 4-Heptanone,>;97.0%(GC)(123-19-3)