CAS 106-68-3 MFCD00009515-3-Octanone 3-辛酮 TAO{mole}

3-Octanone 3-辛酮

CAS 106-68-3 MFCD00009515

化学结构图

SMILES: CCCCCC(=O)CC

化学属性

Mol. Formula	C8H16O
Mol. Weight	128.22
Refractive index	1.4130 to 1.4160
Boiling Point	167-168
Density	0.822
Flash Point	54°C(lit.)
TSCA	Yes
Melting Point	-23
Solubility	0.7 G/L

别名和识别编码

Chemical Name	3-Octanone
MDL Number	MFCD00009515
CAS Number	106-68-3
Synonym	3-OCTANONE OEKANAL 3-Octanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87574127
EC Number	203-423-0
Beilstein Registry Number	1700021
Merck Number	6753
Chemical Name Translation	3-辛酮
Reaxys-RN	1700021
Wiswesser Line Notation	5V2
LabNetwork Molecule ID	LN00225404
InChI	InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

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

RTECSRH1485000

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+P242+P243
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。
P302+P352+P332+P313+P362+P364
P303+P361+P353
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
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
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Packing GroupIII

UN Number 2271

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

Safety Statements

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；
S33 Take precautionary measures against static discharges 对静电采取预防措施；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S37 Wear suitable gloves 戴适当手套；
S39 Wear eye/face protection 戴眼睛/面孔保护装置；
S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S7 Keep container tightly closed 保存在严格密闭容器中；

Hazard Codes 3

Hazard Class3

Storage condition Flammables area

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 406 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,5,1961

其他信息

可燃性危险特性:易燃
储运特性:库房通风低温干燥; 与氧化剂分开储运
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） 3-辛酮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
职业标准:TWA 130 毫克/立方米
刺激数据:皮肤-兔子 500 毫克/24小时中度
Hazard Note:Irritant
急性毒性:腹注-小鼠 LD50: 406 毫克/公斤
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥98.0% 折射率(n D 20 ) 1.413～1.418 相对密度(d 4 23 ) 0.817~0.821 醇中溶解度 lml溶于3mL70%乙醇
Acros Organics:3-辛酮 3-Octanone, 99%(106-68-3)
Sigma Aldrich:106-68-3(sigmaaldrich)
爆炸物危险特性:蒸气与空气混合可爆
3-辛酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 O0122 3-辛酮 3-Octanone 500ML 1470元 2014/06/02 O0122 3-辛酮 3-Octanone 25ML 202元 2010/05/25 A12113 3-辛酮, 98% 3-Octanone, 98% 25g 234元
毒性分级:中毒
类别:易燃液体
使用限量:FEMA(mg/kg)：软饮料3.3；冷饮10；焙烤制品11.0。 FDA(§172．515，2000)：适度为限。
FEMA:2803
MOL 文件:106-68-3.mol
TCI Shanghai:3-辛酮 3-Octanone,>;98.0%(GC)(106-68-3)
灭火剂:干粉, 二氧化碳, 砂土, 泡沫
用途一:用作溶剂
图谱信息:3-辛酮(106-68-3)核磁图( 13 CNMR) 3-辛酮(106-68-3)质谱(MS) 3-辛酮(106-68-3)红外图谱(IR1) 3-辛酮(106-68-3)Raman光谱 3-辛酮(106-68-3)核磁图( 1 HNMR) 3-辛酮(106-68-3)红外图谱(IR2)
毒性:GRAS(FEMA)。 LD 50 @＞5g/kg(大鼠，口服)。
下游产品:3-辛醇
Alfa Aesar:3-辛酮,98% 3-Octanone, 98%(106-68-3)