CAS 589-38-8 MFCD00009402-3-Hexanone 3-己酮 TAO{mole}

3-Hexanone 3-己酮

CAS 589-38-8 MFCD00009402

化学结构图

SMILES: CCCC(=O)CC

化学属性

Mol. Formula	C6H12O
Mol. Weight	100.16
Refractive index	1.3980 to 1.4010
Boiling Point	123 °C(lit.)
Density	0.815 g/mL at 25 °C(lit.)
Flash Point	14°C(lit.)
TSCA	Yes
Melting Point	-55°
Solubility	微溶于水，溶于丙酮，可混溶于乙醇、乙醚。

别名和识别编码

Chemical Name	3-Hexanone
Synonym	3-HEXANONE 3-HEXANONE 97+% 3-HEXANONE 96+% 3-HEXANONE OEKANAL 3-HEXANONE, NATURAL 3-Hexanon 3-Hexanone,98% 3-Oxohexane 3-hexanone 3-oxohexane 3-己酮 3-己酮(乙基丙酮) 3-己酮,98% Aethylpropylketon ETHYL N-PROPYL KETONE ETHYL PROPYL KETONE Ethyl n-propyl ketone Ethyl propyl ketone Ethyl-propylketon Ethylpropylketon FEMA 3290 Hexan-3-one Hexanone, 3-: (Ethyl propyl ketone) Hexanone-(3) METHYLPROPYLKETONE(SG) ethyl propyl ketone hexan-3-one hexanone,3-hexanone n-C3H7COC2H5 乙基丙基甲酮乙基丙基酮乙基正丙基甲酮甲基丙基(甲)酮
MDL Number	MFCD00009402
CAS Number	589-38-8
PubChem Substance ID	11509
EC Number	209-645-4
Beilstein Registry Number	1(4)3301
Reaxys-RN	1738025
Chemical Name Translation	3-己酮
Wiswesser Line Notation	2V3
LabNetwork Molecule ID	LN00192913
InChI	InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

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产品应用

是有机合成重要原料，也用于食品工业。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H226 Flammable liquid and vapour 易燃液体和蒸气
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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSMP1575000

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
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。
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。
P303+P361+P353
P305+P351+P338
P332+P313
P337+P313
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Packing GroupII

UN Number UN 1224 3/PG 3 UN1224 1224

Risk Statements

R10 Flammable 易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R11 Highly flammable 非常易燃

Safety Statements

S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
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；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Hazard Codes F;Xi Xi,F Xi

Hazard Class3

Storage condition Flammables area

Warnings 危化品目录(2015)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3360 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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
REFERENCE :
   BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner
   Derivate mit besonderer Berucksichtigung der Kreislaufwirkung,
   Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen
   Instituts, Stockholm, Sweden, 1934  Volume(issue)/page/year: -,-,1934

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3170 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            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4000 ppm/4H
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

Restrict 危险品

其他信息

Sigma Aldrich:589-38-8(sigmaaldrich)
毒性分级:中毒
图谱信息:3-己酮(589-38-8)质谱(MS) 3-己酮(589-38-8)红外图谱(IR1) 3-己酮(589-38-8)核磁图( 1 HNMR) 3-己酮(589-38-8)红外图谱(IR2) 3-己酮(589-38-8)Raman光谱 3-己酮(589-38-8)核磁图( 13 CNMR)
储运特性:库房通风低温干燥; 与氧化剂分开存放
类别:较易燃液体
用途一:食品用香料。主要用于配制葡萄酒等果酒香精及肉类香精。
灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
MSDS 信息:3-己酮(589-38-8).msds
毒性:GRAS(FEMA)。
上游原料:PT-C --> 2-乙基呋喃
微溶于水，溶于丙酮、乙醇和乙醚。
FEMA:3290
使用限量:FEMA：软饮料、糖果、焙烤制。凯布丁类、肉和肉制品、汤料、乳制品、谷类制品，均20.0mg/kg。
刺激数据:皮肤- 兔子 500 毫克/ 24小时轻度; 眼睛- 兔子 500 毫克/ 24小时轻度
用途二:是有机合成重要原料，也用于食品工业。
TCI Shanghai:3-己酮 3-Hexanone,>;98.0%(GC)(589-38-8)
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥97.1% 折射率(n D 20 ) 1.307～1.403 相对密度(d 25 25 )0.8I 2～0.818
3-己酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0115 3-己酮 3-Hexanone 25ML 584元 2014/06/02 H0115 3-己酮 3-Hexanone 5ML 202元 2010/06/21 146900100 3-己酮 3-Hexanone 98% 10 ML 279元
急性毒性:口服- 大鼠 LD50: 3360 毫克/ 公斤
MOL 文件:589-38-8.mol
外观性质:无色液体。
Alfa Aesar:3-己酮,98% 3-Hexanone, 98%(589-38-8)
Acros Organics:3-己酮 3-Hexanone, 98%(589-38-8)
方法一:由3-己醇在氧化磷酸化Ni—Zn催化剂存在下脱氢而得。也可由2-乙基呋喃氢化而得。或由β-呋喃基丙酸在250-300℃下通过5%Pt—C催化利而得。
可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾